UCSF

ZINC01385311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Popular Name: methyl 2-(4-chlorophenyl)-7-hydroxy-3-oxo-2,3-dihydrothieno[3,2-c]pyridazine-6-carboxylate methyl 2-(4-chlorophenyl)-7-hydr…

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CAS Number: 338405-40-6

Other Names:

MFCD00141183

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) 2.94 6.52 -42.87 0 6 -1 84 335.748 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 280 - 282 KeyOrganics

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Rings

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

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