UCSF

ZINC55072830

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 30 Yes

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[1-[1-(o-tolylmethyl)-4-piperidyl]-4-piperidyl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

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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) 2.84 11.77 -89.16 2 5 2 32 414.638 5 ↓
Hi High (pH 8-9.5) 2.84 9.38 -46.45 1 5 1 31 413.63 5 ↓
Lo Low (pH 4.5-6) 2.84 12.24 -91.56 2 5 2 32 414.638 5 ↓

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