UCSF

ZINC04753854

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 16 Yes

Popular Name: 1-(4,6-Dimethylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid 1-(4,6-Dimethylpyrimidin-2-yl)py…

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CAS Number: 956614-59-8

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) -0.19 4.8 -58.91 0 5 -1 69 220.252 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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