UCSF

ZINC07425104

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 23 No

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) 1.67 6.68 -17.09 1 8 0 110 338.389 7
Mid Mid (pH 6-8) 1.67 7.19 -44.75 2 8 1 111 339.397 7

Activity (Go SEA)

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