UCSF

ZINC42477018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.39 1.89 -48.34 4 4 1 70 214.314 3
Hi High (pH 8-9.5) 1.32 0.78 -9.37 3 4 0 71 213.306 2
Mid Mid (pH 6-8) 0.58 0.25 -41.43 3 4 0 76 213.306 3

Activity (Go SEA)

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