UCSF

ZINC65168818

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

Popular Name: (2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(1-methylimidazol-2-yl)sulfanyl-propan-2-ol (2S)-1-[(2S,6S)-2,6-dimethylmorp…

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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) 0.87 2.81 -8.6 1 5 0 51 285.413 5 ↓
Mid Mid (pH 6-8) 0.87 4.79 -41.74 2 5 1 52 286.421 5 ↓
Lo Low (pH 4.5-6) 0.87 5.28 -88.92 3 5 2 53 287.429 5 ↓

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

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