UCSF

ZINC42453168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.68 1.44 -27.31 3 4 1 58 211.285 6
Mid Mid (pH 6-8) 0.68 1.27 -8.75 2 4 0 57 210.277 6

Activity (Go SEA)

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