UCSF

ZINC43967507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 1.97 7.78 -93.61 3 3 2 24 261.413 5
Hi High (pH 8-9.5) 1.97 5.56 -36.23 2 3 1 23 260.405 5
Hi High (pH 8-9.5) 1.97 4.58 -1.71 1 3 0 19 259.397 5
Mid Mid (pH 6-8) 1.97 6.27 -35.79 2 3 1 20 260.405 5
Mid Mid (pH 6-8) 1.97 7.44 -122.41 3 3 2 24 261.413 5

Activity (Go SEA)

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