UCSF

ZINC36753822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 29 Yes

Popular Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-(2,3-dihydro-1,4-benzodiox…

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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) 2.54 6.22 -60.75 1 7 0 89 411.483 4 ↓
Mid Mid (pH 6-8) 2.08 8.87 -67.69 2 7 1 86 412.491 4 ↓

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

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