UCSF

ZINC70514217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 3.12 6.13 -94.9 4 3 2 41 286.504 7
Mid Mid (pH 6-8) 3.12 5.47 -29.42 3 3 1 40 285.496 7

Activity (Go SEA)

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