UCSF

ZINC43262288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.22 3.04 -48.31 4 4 1 60 349.318 7
Hi High (pH 8-9.5) 2.22 2.69 -5.89 3 4 0 58 348.31 7
Hi High (pH 8-9.5) 2.22 4.94 -32.08 4 4 1 60 349.318 7
Lo Low (pH 4.5-6) 2.22 4.58 -126.53 5 4 2 61 350.326 7

Activity (Go SEA)

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