UCSF

ZINC44121375

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 11 Yes

Popular Name: 6-(tert-Butyl)pyridin-3-ol 6-(tert-Butyl)pyridin-3-ol

Find On: PubMed — Wikipedia — Google

CAS Number: 68692-50-2

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) 2.42 2.48 -4.9 1 2 0 33 151.209 1 ↓
Hi High (pH 8-9.5) 2.42 3.25 -43.03 0 2 -1 36 150.201 1 ↓
Mid Mid (pH 6-8) 2.42 2.7 -28.05 2 2 1 34 152.217 1 ↓
Lo Low (pH 4.5-6) 2.42 3.46 -20.21 1 2 0 37 151.209 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0397350A1; EP0397350B1 IBM Patent Data

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