UCSF

ZINC15941228

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 37 Yes

Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3R)-1-(p-tolylsulfonyl)-3-piperidyl]-2H-triazolo[4,5- 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) 2.62 5.17 -53.92 0 11 -1 135 521.579 5 ↓
Lo Low (pH 4.5-6) 2.16 6.9 -33.03 1 11 0 132 522.587 5 ↓

Activity (Go SEA)

Rings

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