UCSF

ZINC04399971

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 17 Yes

Popular Name: 1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid 1-(4,6-Dimethylpyrimidin-2-yl)pi…

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CAS Numbers: 841222-87-5 , [841222-87-5]

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) 1.65 8.88 -51.05 0 5 -1 69 234.279 2 ↓
Lo Low (pH 4.5-6) 1.65 9.13 -54.57 1 5 0 70 235.287 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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