| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: 1-[4-[[(3S)-1,1-dioxothian-3-yl]amino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(3S)-1,1-dioxothian-3-yl]…
| 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) | 1.33 | 3.4 | -67.5 | 2 | 5 | 1 | 71 | 317.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 2.39 | -16.88 | 1 | 5 | 0 | 66 | 316.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
