UCSF

ZINC01384450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 Yes

Popular Name: 2,3-dimethyl-1-[3-(methylsulfanyl)phenyl]-4(1H)-pyridinone 2,3-dimethyl-1-[3-(methylsulfany…

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CAS Number: 861210-59-5

Other Names:

MFCD03617856

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) 2.97 9.15 -13.47 0 2 0 22 245.347 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 180 KeyOrganics

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Rings

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

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