UCSF

ZINC34542113

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 1.89 3.38 -36.96 3 6 1 79 340.403 3
Mid Mid (pH 6-8) 1.89 3.23 -13.7 2 6 0 77 339.395 3

Activity (Go SEA)

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