UCSF

ZINC20126881

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) 2.00 5.01 -44.87 2 4 1 38 277.388 5
Hi High (pH 8-9.5) 2.00 3.94 -5.6 1 4 0 34 276.38 5
Mid Mid (pH 6-8) 2.00 7.48 -120.95 3 4 2 40 278.396 5
Mid Mid (pH 6-8) 2.00 6.27 -39.1 2 4 1 35 277.388 5

Activity (Go SEA)

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