UCSF

ZINC40805182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 0.59 1.11 -42.83 4 5 1 69 272.413 6
Hi High (pH 8-9.5) 0.59 0.78 -6.57 3 5 0 68 271.405 6
Mid Mid (pH 6-8) 0.59 3.06 -97.04 5 5 2 70 273.421 6

Activity (Go SEA)

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