UCSF

ZINC43411184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 11 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) -0.04 1.43 -100.24 4 3 2 41 162.277 5
Mid Mid (pH 6-8) -0.04 -0.72 -31.83 3 3 1 40 161.269 5
Mid Mid (pH 6-8) -0.04 0.17 -31.56 3 3 1 37 161.269 5

Activity (Go SEA)

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