| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 26 | 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) | 0.71 | 6.99 | -62.68 | 1 | 5 | -1 | 78 | 400.53 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 8.49 | -39.38 | 2 | 5 | -1 | 73 | 400.53 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 8.52 | -17.2 | 2 | 5 | 0 | 67 | 401.538 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 7.04 | -26.18 | 1 | 5 | 0 | 78 | 401.538 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 7.01 | -22.25 | 1 | 5 | 0 | 70 | 401.538 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 6.85 | -59.59 | 0 | 5 | -1 | 76 | 400.53 | 2 | ↓ |
![5-[2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-id-4-yl]-1H-pyrimidine-2-thione](http://zinc12.docking.org/img/rings/81799.gif)
