UCSF

ZINC11535862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 12 Yes

Popular Name: N-[(4-methyl-3-pyridyl)methyl]acetamide N-[(4-methyl-3-pyridyl)methyl]ac…

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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) 0.00 2.49 -8.55 1 3 0 42 164.208 2 ↓
Lo Low (pH 4.5-6) 0.00 2.77 -38.57 2 3 1 43 165.216 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 91 - 92 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

No pre-computed analogs available. Try a structural similarity search.