UCSF

ZINC20366911

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 Yes

Popular Name: Ethyl 1-( 3'-cyano-4',6'-dimethylpyridin-2'-yl)-iso-nipecotate Ethyl 1-( 3'-cyano-4',6'-dimethy…

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CAS Number: 865659-12-7

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) 2.68 9.42 -9.29 0 5 0 66 287.363 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 92 - 94 KeyOrganics
Purity 95% Fluorochem

Activity (Go SEA)

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