UCSF

ZINC34383952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.41 9.38 -48.72 2 9 1 104 498.959 12
Hi High (pH 8-9.5) 2.87 5.33 -60.75 0 9 -1 106 496.943 12
Hi High (pH 8-9.5) 2.87 7.5 -79.46 1 9 0 107 497.951 12
Hi High (pH 8-9.5) 2.41 7.25 -14.73 1 9 0 103 497.951 12

Activity (Go SEA)

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