UCSF

ZINC69796546

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 No

Popular Name: 3-methyl-1-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-4-phenyl-imidazole-2-thione 3-methyl-1-[[(3S)-3-(morpholinom…

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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) 2.39 9.2 -14.73 0 5 0 26 386.565 5 ↓
Mid Mid (pH 6-8) 2.39 11.34 -50.4 1 5 1 27 387.573 5 ↓
Mid Mid (pH 6-8) 2.39 11.22 -52.4 1 5 1 27 387.573 5 ↓
Lo Low (pH 4.5-6) 2.39 13.38 -119.06 2 5 2 28 388.581 5 ↓

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

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