UCSF

ZINC42461545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.29 1.53 -110.33 4 4 2 45 243.395 2
Hi High (pH 8-9.5) 0.29 1.51 -38.62 3 4 1 43 242.387 2

Activity (Go SEA)

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