UCSF

ZINC40108985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 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) 1.12 4.34 -37.09 3 6 1 76 291.375 5
Mid Mid (pH 6-8) 1.12 4.02 -10.79 2 6 0 74 290.367 5

Activity (Go SEA)

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