UCSF

ZINC43423292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.67 2.24 -9.84 3 5 0 71 235.287 1
Mid Mid (pH 6-8) 0.23 1.06 -52.98 3 5 1 70 236.295 1

Activity (Go SEA)

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