UCSF

ZINC01128428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 22 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) 5.29 12.37 -8.02 0 2 0 18 292.426 5
Mid Mid (pH 6-8) 5.29 12.91 -26.94 1 2 1 19 293.434 5

Activity (Go SEA)

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