UCSF

ZINC05062099

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 23 No

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) 3.89 9.52 -14.23 2 6 0 94 350.161 2
Mid Mid (pH 6-8) 3.66 -0.27 -46.77 2 6 1 91 351.169 3

Activity (Go SEA)

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