UCSF

ZINC42448129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.66 4.92 -118.56 4 3 2 45 238.356 5
Mid Mid (pH 6-8) 0.66 5.25 -31.63 3 3 1 44 237.348 5
Mid Mid (pH 6-8) 0.66 3.05 -50.76 3 3 1 44 237.348 5

Activity (Go SEA)

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