UCSF

ZINC38468702

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 29 Yes

Popular Name: 4-amino-5-chloro-N-[[(3R,4S)-3-hydroxy-1-(3-methoxypropyl)-4-piperidyl]methyl]-2,2-dimethyl-3H-benzo 4-amino-5-chloro-N-[[(3R,4S)-3-h…

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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) 2.67 4.84 -50.92 5 7 1 98 426.965 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999002156A1 IBM Patent Data

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