UCSF

ZINC01382335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 No

Popular Name: 2-(4-fluorophenoxy)-N-(2-oxotetrahydro-3-thiophenyl)nicotinamide 2-(4-fluorophenoxy)-N-(2-oxotetr…

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CAS Number: 317833-12-8

Other Names:

MFCD00974089

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) 2.62 -1.17 -22.42 1 5 0 68 332.356 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 184 - 186 KeyOrganics

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Rings

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

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