UCSF

ZINC39229111

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 Yes

Popular Name: [(3S)-3-(hydroxymethyl)-1-piperidyl]-[2-[(2R)-2-(4-pyridyl)pyrrolidin-1-yl]-3-pyridyl]methanone [(3S)-3-(hydroxymethyl)-1-piperi…

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Annotations

Vendors

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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) 0.90 7.4 -36.28 2 6 1 71 367.473 4 ↓
Lo Low (pH 4.5-6) 0.90 8.19 -98.41 3 6 2 72 368.481 4 ↓

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