| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-[[isopropyl(2-thienylmethyl)amino]methyl]cycloheptanone (2S)-2-[[isopropyl(2-thienylmeth…
| 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) | 3.77 | 10.12 | -34.27 | 1 | 2 | 1 | 22 | 280.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 8.25 | -6.25 | 0 | 2 | 0 | 20 | 279.449 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(2-thenylamino)methyl]cycloheptanone](http://zinc12.docking.org/img/rings/116107.gif)