UCSF

ZINC43248322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.61 7.09 -42.53 3 2 1 31 354.337 5
Hi High (pH 8-9.5) 3.61 8.72 -38.78 3 2 1 30 354.337 5
Hi High (pH 8-9.5) 3.61 6.66 -2.85 2 2 0 29 353.329 5

Activity (Go SEA)

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