UCSF

ZINC34667717

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 4.03 11.71 -16.03 1 6 0 66 469.372 5
Mid Mid (pH 6-8) 4.03 12.05 -47.79 2 6 1 67 470.38 5

Activity (Go SEA)

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