UCSF

ZINC01382363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate methyl 1-[5-(3-chloro-2-thienyl)…

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CAS Number: 477854-08-3

Other Names:

MFCD00794209

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) 3.46 -0.31 -8.91 1 5 0 69 349.843 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

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Rings

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

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