UCSF

ZINC34768688

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 18 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) 1.71 8.57 -249.09 0 6 -3 120 249.198 3
Mid Mid (pH 6-8) 1.71 5.97 -122.02 1 6 -2 118 250.206 3

Activity (Go SEA)

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