UCSF

ZINC04728038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 25 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) 3.87 8.72 -47.89 2 4 1 43 351.348 5
Mid Mid (pH 6-8) 3.87 6.52 -11.63 1 4 0 42 350.34 5

Activity (Go SEA)

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