UCSF

ZINC40939419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 14 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) 1.08 3.99 -129.34 6 2 2 55 194.322 6
Mid Mid (pH 6-8) 1.08 3.68 -43.01 5 2 1 54 193.314 6

Activity (Go SEA)

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