UCSF

ZINC40700865

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 32 Yes

Popular Name: N-[[(3R)-1-[[4-[[(3R)-3-(diethylaminomethyl)-1-piperidyl]methyl]phenyl]methyl]-3-piperidyl]methyl]-N N-[[(3R)-1-[[4-[[(3R)-3-(diethyl…

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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) 4.66 16.34 -147.51 3 4 3 17 445.76 12 ↓
Hi High (pH 8-9.5) 4.66 14.8 -88.81 2 4 2 15 444.752 12 ↓
Mid Mid (pH 6-8) 4.66 14.43 -76.44 2 4 2 15 444.752 12 ↓
Mid Mid (pH 6-8) 4.66 14.12 -72.36 2 4 2 15 444.752 12 ↓
Mid Mid (pH 6-8) 4.66 16.65 -161.15 3 4 3 17 445.76 12 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5219867 IBM Patent Data

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