UCSF

ZINC00333928

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2-Acetamidopyridine 2-Acetamidopyridine

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CAS Numbers: , 158734-79-3 , 158734-80-6 , 5231-96-9 , [5231-96-9]

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) 0.26 3.07 -13.08 1 3 0 42 136.154 1 ↓
Lo Low (pH 4.5-6) 0.26 2.85 -27.98 2 3 1 43 137.162 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 148 / 13 TCI
MP 69 TCI
PUBCHEM_PATENT_ID EP0039903A2; EP0757682A1; US4617401; US5858995; WO1996034866A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0243173A2 IBM Patent Data

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