UCSF

ZINC22172839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Other Names:

MFCD09731561

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) 0.28 3.12 -92.27 4 5 2 69 271.386 3
Hi High (pH 8-9.5) 0.28 0.31 -9.57 2 5 0 67 269.37 3
Mid Mid (pH 6-8) 0.28 0.71 -39.88 3 5 1 68 270.378 3

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% )