UCSF

ZINC34383954

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 9.52 -52.14 2 9 1 104 498.959 12
Hi High (pH 8-9.5) 2.41 7.39 -18.81 1 9 0 103 497.951 12
Hi High (pH 8-9.5) 2.87 5.47 -54.37 0 9 -1 106 496.943 12
Hi High (pH 8-9.5) 2.87 7.64 -72.02 1 9 0 107 497.951 12

Activity (Go SEA)

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