UCSF

ZINC01383416

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 30 No

Popular Name: ethyl 5-(3-chloro-2-thienyl)-2-[4-(4-methoxyphenyl)piperazino]-1H-pyrrole-3-carboxylate ethyl 5-(3-chloro-2-thienyl)-2-[…

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CAS Number: 477845-25-3

Other Names:

MFCD00794197

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) 4.92 12.14 -10.26 1 6 0 58 445.972 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 149 - 151 KeyOrganics

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Rings

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

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