UCSF

ZINC12401964

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 18 Yes

Popular Name: 2,3-Di(4-pyridyl)-2,3-butanediol 2,3-Di(4-pyridyl)-2,3-butanediol

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CAS Number: 69267-29-4

Other Names:

MFCD00043009

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) 0.53 1.59 -8.9 2 4 0 66 244.294 3 ↓
Lo Low (pH 4.5-6) 0.53 1.69 -42.68 3 4 1 67 245.302 3 ↓
Lo Low (pH 4.5-6) 0.53 2.13 -82.67 4 4 2 69 246.31 3 ↓
Lo Low (pH 4.5-6) 0.53 2.05 -40.85 3 4 1 67 245.302 3 ↓

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Rings

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