UCSF

ZINC19821170

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 Yes

Popular Name: 1-Phenyl-2-piperidin-1-yl-ethylamine 1-Phenyl-2-piperidin-1-yl-ethyla…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41208-22-4 , [41208-22-4]

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) 0.37 6.5 -32.98 3 2 1 30 205.325 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US3931195; US4000143; US4064254; US4399286; USRE30811; USRE30812 IBM Patent Data

Activity (Go SEA)

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