UCSF

ZINC44481919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 11 Yes

Other Names:

MFCD16108642

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) 0.91 2.38 -34.64 2 2 1 20 155.265 2
Hi High (pH 8-9.5) 0.91 1.32 -0.82 1 2 0 15 154.257 2
Mid Mid (pH 6-8) 0.91 3.99 -31.85 2 2 1 16 155.265 2
Lo Low (pH 4.5-6) 0.91 4.9 -102.54 3 2 2 21 156.273 2

Vendor Notes

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

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