UCSF

ZINC38219348

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 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) 3.52 7.91 -88.86 3 3 2 31 279.815 4
Hi High (pH 8-9.5) 3.52 5.12 -5.18 1 3 0 28 277.799 4
Hi High (pH 8-9.5) 3.52 5.55 -28.87 2 3 1 29 278.807 4
Mid Mid (pH 6-8) 3.52 7.49 -44.45 2 3 1 29 278.807 4

Activity (Go SEA)

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