UCSF

ZINC22177054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 No

Other Names:

MFCD09733229

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) 3.43 6.43 -6.61 2 2 0 39 218.325 2
Hi High (pH 8-9.5) 3.43 6.49 -39.34 1 2 -1 36 217.317 2
Lo Low (pH 4.5-6) 3.43 6.89 -26.04 3 2 1 40 219.333 2

Vendor Notes

Note Type Comments Provided By
MP 231 - 233 Enamine Building Blocks
MP 231...233 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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