| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 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) | 2.71 | 10.85 | -10.52 | 1 | 7 | 0 | 75 | 453.545 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 10.23 | -39.26 | 0 | 7 | -1 | 81 | 452.537 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 9.38 | -35.35 | 1 | 7 | 0 | 80 | 453.545 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 9.33 | -36.92 | 1 | 7 | 1 | 75 | 454.553 | 1 | ↓ |
![5-[2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/81770.gif)
