UCSF

ZINC38907099

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 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) 2.48 8.35 -32.55 2 5 1 50 337.447 5
Hi High (pH 8-9.5) 2.48 8.04 -10.86 1 5 0 48 336.439 5
Mid Mid (pH 6-8) 2.48 10.58 -96.37 3 5 2 51 338.455 5
Mid Mid (pH 6-8) 2.48 10.26 -44.11 2 5 1 50 337.447 5

Activity (Go SEA)

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