UCSF

ZINC40442723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 No

Popular Name: 5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one 5-(2-Cyclopropyl-1-(2-fluorophen…

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CAS Numbers: 150322-38-6 , 951380-42-0 , [951380-42-0]

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) 2.92 9.14 -9.42 0 3 0 37 331.412 4 ↓
Hi High (pH 8-9.5) 2.81 10.28 -8.96 1 5 0 54 309.417 4 ↓
Lo Low (pH 4.5-6) 2.92 10.79 -47.21 1 3 1 39 332.42 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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Rings

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

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