UCSF

ZINC42470060

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) 0.19 0.65 -28.79 3 4 1 58 209.269 2
Mid Mid (pH 6-8) 0.19 0.33 -7.5 2 4 0 57 208.261 2

Activity (Go SEA)

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