UCSF

ZINC01384987

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

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

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CAS Number: 303145-13-3

Other Names:

MFCD00243841

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) 3.45 -1.2 -17.93 0 5 0 56 299.355 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 164 - 165 KeyOrganics

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Rings

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

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