UCSF

ZINC19414971

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 Yes

Popular Name: 1-[4-(aminomethyl)phenyl]piperidin-2-one 1-[4-(aminomethyl)phenyl]piperid…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1439900-50-1 , 444002-98-6

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) 0.78 4.34 -52.81 3 3 1 48 205.281 2 ↓
Hi High (pH 8-9.5) 0.78 3.94 -9.35 2 3 0 46 204.273 2 ↓

Vendor Notes

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

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