UCSF

ZINC31959179

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -0.92 -0.62 -61.62 4 6 1 92 229.285 3
Hi High (pH 8-9.5) -0.92 -1.01 -21.26 3 6 0 90 228.277 3
Hi High (pH 8-9.5) -1.10 -2.07 -46.48 2 6 -1 96 227.269 3
Mid Mid (pH 6-8) -1.10 -1.69 -48.49 3 6 0 98 228.277 3

Activity (Go SEA)

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