UCSF

ZINC66639956

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 25 No

Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3- (2S)-2-[(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) 0.88 6.86 -11.96 2 7 0 75 369.535 6 ↓
Mid Mid (pH 6-8) 1.61 6.27 -41.8 1 7 -1 72 368.527 6 ↓
Lo Low (pH 4.5-6) 0.88 8.22 -46.09 3 7 1 76 370.543 6 ↓

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

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