UCSF

ZINC38143152

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 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) 4.18 19.66 -49.27 0 7 0 77 537.763 28

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 3000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 270 0.26 Functional ≤ 10μM

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