UCSF

ZINC01384992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: 2-{[4-(tert-butyl)benzyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one 2-{[4-(tert-butyl)benzyl]sulfany…

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CAS Number: 303145-16-6

Other Names:

MFCD00243844

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) 5.10 -0.06 -16.68 0 4 0 47 325.437 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 128 KeyOrganics

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Rings

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

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