UCSF

ZINC50399577

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 21 No

Popular Name: 6-methyl-1-(3-nitroanilino)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid 6-methyl-1-(3-nitroanilino)-4-ox…

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CAS Number: 477886-67-2

Other Names:

MFCD00794174

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) -1.48 6.82 -55.59 2 8 0 122 289.247 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 244 - 245 KeyOrganics
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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

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