UCSF

ZINC16576953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 19 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) 3.52 7.67 -8.79 1 3 0 38 276.405 7
Mid Mid (pH 6-8) 3.52 8.12 -27.9 2 3 1 39 277.413 7

Activity (Go SEA)

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