UCSF

ZINC20052257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 0.68 4.16 -106.58 3 4 2 34 245.411 9
Mid Mid (pH 6-8) 0.68 1.94 -43.15 2 4 1 32 244.403 9
Mid Mid (pH 6-8) 0.68 2.76 -33.54 2 4 1 29 244.403 9
Lo Low (pH 4.5-6) 0.68 6.56 -197.71 4 4 3 35 246.419 9
Lo Low (pH 4.5-6) 0.68 5.16 -81.7 3 4 2 30 245.411 9

Activity (Go SEA)

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