UCSF

ZINC41684688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 0.46 0.98 -44.78 3 6 1 83 294.422 7
Mid Mid (pH 6-8) 0.92 -1.31 -62.75 2 6 0 87 293.414 7

Activity (Go SEA)

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