UCSF

ZINC06371733

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2006 18 No

Popular Name: 3-Ethyl-1,2,3,5,6,7,8,9-octahydro-2-thioxo-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one; 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-; BRN 4192893; LS-56130 3-Ethyl-1,2,3,5,6,7,8,9-octahydr…

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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) 2.86 8.4 -9.15 1 3 0 38 280.418 1 ↓
Hi High (pH 8-9.5) 3.31 7.23 -37.69 0 3 -1 41 279.41 1 ↓

Activity (Go SEA)

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