| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 22nd, 2008 | 31 | No |
| 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) | 3.13 | 7.78 | -22.93 | 2 | 8 | 0 | 109 | 435.509 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 5.9 | -60.35 | 1 | 8 | -1 | 112 | 434.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 6.17 | -47.38 | 1 | 8 | -1 | 112 | 434.501 | 3 | ↓ |
![5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3359.gif)
![N-[(2-ketoindolin-3-ylidene)amino]-2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetamide](http://zinc12.docking.org/img/rings/65926.gif)
