| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 18 | Yes |
Popular Name: 2-[[ethyl(2-thienylmethyl)amino]methyl]-5-hydroxy-pyran-4-one 2-[[ethyl(2-thienylmethyl)amino]…
| 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) | 1.25 | 3.77 | -15.75 | 1 | 4 | 0 | 54 | 265.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.89 | -68.79 | 1 | 4 | 0 | 58 | 265.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.03 | -54.36 | 2 | 4 | 1 | 55 | 266.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.64 | -56.3 | 0 | 4 | -1 | 57 | 264.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(2-thenylamino)methyl]pyran-4-one](http://zinc12.docking.org/img/rings/451314.gif)