| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 34 | Yes |
Popular Name: 1-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-pyridylmethyl)urea 1-(5-benzyl-6-oxo-benzo[b][1,4]b…
| 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) | 4.94 | 11.4 | -17.87 | 2 | 6 | 0 | 76 | 466.566 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.94 | 11.78 | -52.22 | 3 | 6 | 1 | 77 | 467.574 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5H-benzo[b][1,4]benzothiazepin-6-one](http://zinc12.docking.org/img/rings/82568.gif)
![1-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-pyridylmethyl)urea](http://zinc12.docking.org/img/rings/82574.gif)