UCSF

ZINC44646681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.27 5.25 -87.91 4 4 2 50 243.395 7
Hi High (pH 8-9.5) 1.27 3.88 -39.29 3 4 1 46 242.387 7

Activity (Go SEA)

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