UCSF

ZINC35643584

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 Yes

Popular Name: Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate Methyl 2-(2-chlorophenyl)-2-(4,5…

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CAS Numbers: 144457-43-2 , 144750-52-7 , [144457-43-2]

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) 3.68 8.94 -6.95 0 3 0 30 321.829 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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