UCSF

ZINC44966824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 1.59 5.09 -12.29 1 6 0 64 307.394 6
Mid Mid (pH 6-8) 1.59 5.44 -37.46 2 6 1 65 308.402 6

Activity (Go SEA)

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