UCSF

ZINC43967131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.59 6.37 -40.79 2 4 1 38 239.387 6
Mid Mid (pH 6-8) 1.59 6.61 -111.66 3 4 2 39 240.395 6

Activity (Go SEA)

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