UCSF

ZINC26515651

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 Yes

Other Names:

MFCD09991903

N/A

NA

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) 2.05 3.67 -4.73 3 3 0 55 165.24 1
Ref Reference (pH 7) 2.05 3.78 -26.93 4 3 1 56 166.248 1
Mid Mid (pH 6-8) 2.05 3.55 -5.28 3 3 0 55 165.24 1
Lo Low (pH 4.5-6) 2.05 3.82 -27.09 4 3 1 56 166.248 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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