UCSF

ZINC01383377

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: dimethyl 5-(4-methylphenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(4-methylphenyl)-1H-p…

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CAS Number: 337920-81-7

Other Names:

MFCD00243367

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) 3.15 2.75 -12.77 0 5 0 57 331.393 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 115 KeyOrganics

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Rings

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

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