UCSF

ZINC01384425

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Substance Information

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

Popular Name: 1-[2-(1H-imidazol-4-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone 1-[2-(1H-imidazol-4-yl)ethyl]-2,…

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CAS Number: 861210-41-5

Other Names:

MFCD03787551

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) 0.78 6.79 -19.21 1 4 0 51 217.272 3 ↓
Mid Mid (pH 6-8) 0.78 7.31 -62.93 2 4 1 52 218.28 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 242 - 245 KeyOrganics

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Rings

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

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