| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (3S)-3-[[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]azepan-2-one (3S)-3-[[(4S)-1,1-dioxo-3,4-dihy…
| 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) | 0.17 | 2.65 | -59.25 | 3 | 5 | 1 | 80 | 309.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.35 | -16.41 | 2 | 5 | 0 | 75 | 308.403 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)amino]azepan-2-one](http://zinc12.docking.org/img/rings/556262.gif)