| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 30 | Yes |
Popular Name: 5-methyl-1-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]indoline-2,3-dione 5-methyl-1-[[4-[5-(trifluorometh…
| 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) | 3.20 | 8.78 | -12.1 | 0 | 6 | 0 | 58 | 418.419 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 10.95 | -48.88 | 1 | 6 | 1 | 60 | 419.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[[4-(2-pyridyl)-1,4-diazepan-1-yl]methyl]isatin](http://zinc12.docking.org/img/rings/259910.gif)