UCSF

ZINC01384983

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 No

Popular Name: 2-methoxy-5-[(4-methylbenzoyl)amino]-1-pyridiniumolate 2-methoxy-5-[(4-methylbenzoyl)am…

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CAS Number: 400076-02-0

Other Names:

MFCD00665638

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) 0.97 5.74 -14.58 1 5 0 64 258.277 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 180 - 182 KeyOrganics

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Rings

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

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