UCSF

ZINC66323294

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 26 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 76361-09-6 , [76361-09-6]

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) 2.49 10.87 -47.21 0 7 -1 97 348.338 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0018139A2; US4215216; US4233446; US4236004; US4255568; US4301281 IBM Patent Data
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.