UCSF

ZINC43399893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.56 2.78 -8.39 3 6 0 84 238.291 5
Mid Mid (pH 6-8) -0.56 3.21 -30.55 4 6 1 85 239.299 5

Activity (Go SEA)

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