UCSF

ZINC65493119

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 No

Popular Name: (5S)-5-[[(3R,5S)-5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazolidin-3-yl]methyl]-2 (5S)-5-[[(3R,5S)-5-cyclopropyl-2…

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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) 2.21 3.42 -16.56 2 8 0 88 383.452 4 ↓
Lo Low (pH 4.5-6) 2.21 4.83 -49.37 3 8 1 92 384.46 4 ↓
Lo Low (pH 4.5-6) 2.21 3.84 -48.25 3 8 1 92 384.46 4 ↓

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

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