UCSF

ZINC12093897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2008 24 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) 0.34 3.52 -48.76 3 8 1 102 338.384 9
Mid Mid (pH 6-8) 0.52 1.03 -46.31 2 8 0 108 337.376 9

Activity (Go SEA)

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