| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
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CAS Numbers: 59898-74-7 , [59898-74-7]
(3-Methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo-[4,5] thieno[2,3-d]pyrimidin-2-ylsulfanyl)acetic acid
(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo-[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)aceticacid
(3-Methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
| 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) | 2.15 | -1.42 | -44.9 | 0 | 5 | -1 | 75 | 309.392 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 190° (dec) | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3359.gif)