UCSF

ZINC43404826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.80 4.29 -61.96 3 6 -1 108 262.289 5
Mid Mid (pH 6-8) -0.80 4.63 -40.55 4 6 0 109 263.297 5

Activity (Go SEA)

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