UCSF

ZINC38139247

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 37 No

Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[1-(2-fluorophenyl)sulfonyl-4-piperidyl]triazolo[4,5-d] 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) 2.29 4.4 -62.06 0 11 -1 135 525.542 5 ↓
Lo Low (pH 4.5-6) 1.83 6.64 -27.19 1 11 0 132 526.55 5 ↓
Lo Low (pH 4.5-6) 1.83 6.15 -41.32 1 11 0 132 526.55 5 ↓

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

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