UCSF

ZINC40808915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) -0.56 0.83 -82.1 4 6 2 57 285.436 6
Hi High (pH 8-9.5) -0.56 -2.91 -8.48 2 6 0 51 283.42 6
Hi High (pH 8-9.5) -0.56 -1.55 -42.31 3 6 1 55 284.428 6
Mid Mid (pH 6-8) -0.56 0.72 -87.06 4 6 2 57 285.436 6

Activity (Go SEA)

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