UCSF

ZINC01383268

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 31 Yes

Popular Name: 1-(4-{2-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl)-3,3-dimethyl-2-azetanone 1-(4-{2-[(3-chlorobenzyl)sulfany…

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CAS Number: 860649-70-3

Other Names:

MFCD03305453

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) 5.13 15.3 -19.85 0 6 0 63 449.967 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 131 - 133 KeyOrganics

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Rings

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

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