UCSF

ZINC41195232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 5.05 8.12 -34.96 2 2 1 29 269.478 7
Hi High (pH 8-9.5) 5.05 6.58 -3.55 1 2 0 25 268.47 7

Activity (Go SEA)

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