UCSF

ZINC40493906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 15 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) 1.22 2.52 -35.73 3 4 1 55 217.333 7
Hi High (pH 8-9.5) 1.22 1.56 -7.61 2 4 0 50 216.325 7

Activity (Go SEA)

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