UCSF

ZINC38139251

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 No

Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]triazolo[4, 3-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.00 5.55 -61.72 0 11 -1 135 535.606 5 ↓
Lo Low (pH 4.5-6) 2.54 7.79 -27.92 1 11 0 132 536.614 5 ↓
Lo Low (pH 4.5-6) 2.54 7.3 -42.56 1 11 0 132 536.614 5 ↓

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

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