UCSF

ZINC43967452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.77 6.76 -31.73 2 4 1 35 297.463 7
Hi High (pH 8-9.5) 2.77 5.04 -2.65 1 4 0 34 296.455 7
Hi High (pH 8-9.5) 2.78 6.28 -35.84 2 4 1 38 297.463 7

Activity (Go SEA)

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