UCSF

ZINC44514232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 1.47 5.62 -105.8 5 4 2 61 295.402 5
Hi High (pH 8-9.5) 1.47 3.45 -49.68 4 4 1 60 294.394 5

Activity (Go SEA)

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