UCSF

ZINC01384986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

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

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CAS Number: 303145-12-2

Other Names:

MFCD00243840

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) 4.07 -1.36 -16.34 0 4 0 47 303.774 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics

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Rings

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

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