UCSF

ZINC43461074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

Other Names:

MFCD16074118

MFCD17977128

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) 2.88 4.53 -37.92 0 4 -1 53 294.157 1
Mid Mid (pH 6-8) 2.88 5.02 -7.57 1 4 0 54 295.165 1

Vendor Notes

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

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