UCSF

ZINC00047784

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 1-AMINO-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE 1-AMINO-4,6-DIMETHYL-2-OXO-1,2-D…

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CAS Numbers: 1562-12-5 , [1562-12-5]

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) 0.34 2.94 -16.36 2 4 0 72 163.18 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
MP 171 - 173 Enamine Building Blocks
MP 174° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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