UCSF

ZINC31960227

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.71 -0.46 -55.89 3 8 -1 124 296.303 10
Mid Mid (pH 6-8) -0.71 0.01 -71.07 4 8 0 125 297.311 10
Lo Low (pH 4.5-6) -0.71 -1.11 -45.06 5 8 1 122 298.319 10

Activity (Go SEA)

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