UCSF

ZINC53069224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 13 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) 1.30 1.36 -30.53 3 3 1 46 188.291 6
Hi High (pH 8-9.5) 1.30 0.18 -3.25 2 3 0 41 187.283 6

Activity (Go SEA)

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