UCSF

ZINC20126818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.50 5.31 -38.87 2 3 1 29 249.378 6
Hi High (pH 8-9.5) 2.50 4.31 -3.68 1 3 0 24 248.37 6
Mid Mid (pH 6-8) 2.50 7.76 -113.56 3 3 2 30 250.386 6
Mid Mid (pH 6-8) 2.50 6.69 -35.2 2 3 1 26 249.378 6

Activity (Go SEA)

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