UCSF

ZINC27413002

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 7.72 -24 2 13 0 164 523.435 12
Mid Mid (pH 6-8) 1.21 7.97 -57.04 3 13 1 169 524.443 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 25 0.30 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 25 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 22 0.30 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 25 0.30 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )