UCSF

ZINC58945855

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 17 Yes

Other Names:

MFCD16251975

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) 1.92 7.35 -89.51 4 3 2 35 235.375 3
Mid Mid (pH 6-8) 1.92 6.69 -37.37 3 3 1 34 234.367 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% )