UCSF

ZINC63119577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 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) 1.96 8.62 -167.41 5 4 3 49 291.463 4
Hi High (pH 8-9.5) 1.96 7.77 -35.09 3 4 1 47 289.447 4
Hi High (pH 8-9.5) 1.96 8.25 -74.07 4 4 2 48 290.455 4
Hi High (pH 8-9.5) 1.96 8.16 -91.35 4 4 2 48 290.455 4

Activity (Go SEA)

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