UCSF

ZINC19440696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 Yes

Other Names:

MFCD09934460

MFCD16547607

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 4.35 -5.07 3 3 0 55 228.082 1
Lo Low (pH 4.5-6) 2.88 4.49 -31.5 4 3 1 56 229.09 1

Vendor Notes

Note Type Comments Provided By
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.