UCSF

ZINC19486870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

Popular Name: [1-methyl-4-(piperidin-1-yl)piperidin-4-yl]methanamine [1-methyl-4-(piperidin-1-yl)pipe…

Find On: PubMed — Wikipedia — Google

CAS Number: 876717-83-8

Other Names:

MFCD05201714

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) 0.55 2.28 -26.4 3 3 1 34 212.361 2 ↓
Hi High (pH 8-9.5) 0.55 2.76 -117.34 4 3 2 35 213.369 2 ↓
Hi High (pH 8-9.5) 0.55 4.69 -92.19 4 3 2 35 213.369 2 ↓
Hi High (pH 8-9.5) 0.55 3.07 -32.9 3 3 1 34 212.361 2 ↓
Mid Mid (pH 6-8) 0.55 3.3 -103.86 4 3 2 35 213.369 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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