UCSF

ZINC20218534

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 No

Popular Name: methyl 4-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinecarboxylate methyl 4-chloro-1-[3-chloro-5-(t…

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CAS Number: 251310-42-6

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) 3.22 7.93 -8.23 0 4 0 42 343.132 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 84 - 87 KeyOrganics
MP 84-87° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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