UCSF

ZINC03883630

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

Popular Name: Methyl 4-(5-(chloromethyl)pyridin-2-yl)benzoate Methyl 4-(5-(chloromethyl)pyridi…

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CAS Numbers: 886361-50-8 , [886361-50-8]

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) 3.34 2.09 -9.73 0 3 0 39 261.708 4 ↓
Lo Low (pH 4.5-6) 3.34 2.23 -39.95 1 3 1 40 262.716 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 8.000000000000000e+001 - 8.300000000000000e+001 KeyOrganics
melting_point 80 - 83 KeyOrganics
MP 80-83° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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