UCSF

ZINC66323268

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 19 Yes

Popular Name: Ethyl 5-hydroxy-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate Ethyl 5-hydroxy-2-(methylthio)-7…

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CAS Numbers: 95898-54-7 , [95898-54-7]

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) 2.08 0.61 -117.61 0 7 -2 111 279.277 4 ↓
Mid Mid (pH 6-8) 1.62 4.57 -42.81 1 7 -1 108 280.285 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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