UCSF

ZINC01384990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: ethyl 2-[(4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate ethyl 2-[(4-oxo-4H-pyrido[1,2-a]…

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CAS Number: 303145-14-4

Other Names:

MFCD00243842

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) 2.03 6.14 -17.56 0 6 0 74 265.294 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 121 - 122 KeyOrganics

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Rings

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

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