UCSF

ZINC44511894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.62 4.04 -111.54 5 4 2 62 331.254 4
Hi High (pH 8-9.5) 1.62 4.95 -117.36 4 4 1 64 330.246 4

Activity (Go SEA)

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