UCSF

ZINC54071052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 19 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) -2.03 2.05 -63.8 4 6 0 108 266.297 5
Mid Mid (pH 6-8) -2.03 1.72 -47.94 3 6 -1 107 265.289 5

Activity (Go SEA)

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