UCSF

ZINC20070901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.35 7.07 -118.86 4 4 2 50 275.396 4
Hi High (pH 8-9.5) 2.35 3.48 -9.85 2 4 0 44 273.38 4
Hi High (pH 8-9.5) 2.35 4.65 -46.78 3 4 1 49 274.388 4
Mid Mid (pH 6-8) 2.35 5.9 -42.38 3 4 1 46 274.388 4

Activity (Go SEA)

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