UCSF

ZINC01382355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Popular Name: 2-[(4-methoxybenzyl)sulfanyl]-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-[(4-methoxybenzyl)sulfanyl]-8-…

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CAS Number: 303145-48-4

Other Names:

MFCD00243878

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) 3.85 -0.87 -16.2 0 5 0 56 313.382 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 122 - 123 KeyOrganics

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Rings

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

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