UCSF

ZINC44518208

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) 1.95 7.1 -99.62 4 4 2 50 299.365 5
Hi High (pH 8-9.5) 1.95 5.88 -39.3 3 4 1 46 298.357 5

Activity (Go SEA)

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