UCSF

ZINC45389765

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 27 Yes

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) 5.80 14.64 -37.01 2 2 1 20 353.489 3
Mid Mid (pH 6-8) 5.80 12.85 -5.29 1 2 0 19 352.481 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 5800 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103014 Z103014 Human Papillomavirus - 16 5800 0.27 Functional ≤ 10μM

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