UCSF

ZINC01381892

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Popular Name: N-methyl-4-phenyl-2-(4-pyridinyl)-5-pyrimidinecarboxamide N-methyl-4-phenyl-2-(4-pyridinyl…

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CAS Number: 400079-56-3

Other Names:

MFCD00665684

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) 1.69 -1.97 -11.44 1 5 0 67 290.326 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 203 - 205 KeyOrganics

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Rings

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

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