| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 2-[4-[[(3S)-1,1-dioxothian-3-yl]amino]-1-piperidyl]-N-methyl-acetamide 2-[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) | -0.08 | -0.85 | -57.73 | 3 | 6 | 1 | 83 | 304.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | 0.26 | -51.66 | 3 | 6 | 1 | 80 | 304.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -1.92 | -19.49 | 2 | 6 | 0 | 79 | 303.428 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
