UCSF

ZINC34494213

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 Yes

Popular Name: 1-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]ethanone 1-[(2S)-2-(3-methylisoxazol-5-yl…

Find On: PubMed — Wikipedia — Google

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) 0.63 4.33 -13.84 0 4 0 46 194.234 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0588917A1; EP0588917B1; US5409946; WO1992021339A1 IBM Patent Data

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