UCSF

ZINC12341259

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 16 Yes

Popular Name: 1,2-Dipyridin-4-ylethane-1,2-diol 1,2-Dipyridin-4-ylethane-1,2-diol

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CAS Numbers: 4972-49-0 , 6950-04-5 , 6950-4-5

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) -0.64 -0.07 -10.56 2 4 0 66 216.24 3 ↓
Lo Low (pH 4.5-6) -0.64 -4.33 -83.2 4 4 2 69 218.256 3 ↓
Lo Low (pH 4.5-6) -0.64 0.16 -38.67 3 4 1 67 217.248 3 ↓
Lo Low (pH 4.5-6) -0.64 0.39 -41.86 3 4 1 67 217.248 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 215-217° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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