UCSF

ZINC69917723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) -0.35 3.92 -52.07 3 8 1 86 340.448 7
Hi High (pH 8-9.5) -0.35 1.78 -24.09 2 8 0 85 339.44 7

Activity (Go SEA)

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