UCSF

ZINC69796797

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 No

Popular Name: 3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]oxazolidine-2-thione 3-[[(3S)-3-(morpholinomethyl)-1-…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.26 2.52 -15.24 0 5 0 28 299.44 4 ↓
Mid Mid (pH 6-8) 1.26 4.55 -45.95 1 5 1 29 300.448 4 ↓
Mid Mid (pH 6-8) 1.26 4.92 -50.25 1 5 1 29 300.448 4 ↓
Lo Low (pH 4.5-6) 1.26 6.96 -112.54 2 5 2 31 301.456 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.