| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 5-[(1S)-1-[[(3R)-1,1-dioxothian-3-yl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1S)-1-[[(3R)-1,1-dioxothian-…
| 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) | -0.18 | 0.57 | -17.4 | 2 | 6 | 0 | 92 | 299.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 1.61 | -47.22 | 3 | 6 | 1 | 97 | 300.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[[(1,1-diketothian-3-yl)amino]methyl]-1H-pyrimidin-6-one](http://zinc12.docking.org/img/rings/289590.gif)