Viira, B.; Garcia-Sosa, A. T.; Maran, U. Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets. J. Mol. Graph. Model. 2017, 76, 205-223.

Compound

	ID:	35
	Name:	(Alkylamino)piperidine BHAP Analog 36
	Description:	CHEMBL331912, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	pyrrole, median_value
	CAS:
	InChi Code:	InChI=1S/C31H43FN8O2/c1-6-40(28-25(36-31(2,3)4)9-10-27(32)35-28)23-11-13-38(14-12-23)29(41)26-20-21-19-22(7-8-24(21)34-26)33-30(42)39-17-15-37(5)16-18-39/h7-10,19-20,23,34,36H,6,11-18H2,1-5H3,(H,33,42)

Properties

pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]

Value	Source or prediction
5.73	experimental value
5.8107	Eq.1: Antiviral binding affinity for NNRTIs (training)