UCSF

ZINC43248428

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) 2.48 5.97 -92.9 4 3 2 35 297.512 4
Hi High (pH 8-9.5) 2.48 3.83 -41 3 3 1 34 296.504 4
Hi High (pH 8-9.5) 2.48 3.46 -1.45 2 3 0 32 295.496 4

Activity (Go SEA)

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