UCSF

ZINC66139117

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 44 No

Popular Name: 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-8-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]-5-[(1R)-2-hydroxy- 3-(1,3-benzodioxol-5-yl)-1-[[(2S…

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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) 2.62 4.77 -61.59 2 14 -1 175 628.684 8 ↓
Lo Low (pH 4.5-6) 2.62 4.62 -34.49 3 14 0 173 629.692 8 ↓

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

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