UCSF

ZINC34524139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 3.50 8.78 -5.56 1 3 0 38 269.344 6
Mid Mid (pH 6-8) 3.50 9.57 -35.5 2 3 1 43 270.352 6

Activity (Go SEA)

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