UCSF

ZINC01384431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: 3,3-dimethyl-1-{3-[3-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-azetanone 3,3-dimethyl-1-{3-[3-(2-thienyl)…

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CAS Number: 861210-48-2

Other Names:

MFCD03787556

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) 4.17 0.78 -15.87 0 5 0 50 374.469 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.