| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | No |
Popular Name: (3S)-1,1-dioxo-3-piperazin-1-yl-thiolane-3-carbonitrile (3S)-1,1-dioxo-3-piperazin-1-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) | -0.99 | -1.62 | -63.87 | 2 | 5 | 1 | 78 | 230.313 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.99 | -2.95 | -16.11 | 1 | 5 | 0 | 73 | 229.305 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
