UCSF

ZINC44725589

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.34 0.78 -44.9 3 3 1 40 187.307 5
Hi High (pH 8-9.5) 0.34 2.91 -28.95 3 3 1 40 187.307 5

Activity (Go SEA)

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