UCSF

ZINC42063044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) -0.32 0.78 -5.4 3 3 0 55 217.055 0
Mid Mid (pH 6-8) -0.32 1.09 -52.9 4 3 1 57 218.063 0
Mid Mid (pH 6-8) -0.32 1.09 -52.91 4 3 1 57 218.063 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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