UCSF

ZINC69796376

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 No

Popular Name: 5-tert-butyl-3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-1,3,4-oxadiazole-2-thione 5-tert-butyl-3-[[(3S)-3-(morphol…

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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) 2.36 5.58 -40.43 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 5.18 -45.9 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 3.15 -8.88 0 6 0 47 354.52 5 ↓
Lo Low (pH 4.5-6) 2.36 7.62 -107.64 2 6 2 49 356.536 5 ↓

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

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