| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: [(3S)-3-(4-isobutylpiperazin-1-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(4-isobutylpiperazin-1-y…
| 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) | -0.25 | 1.23 | -123.26 | 4 | 5 | 2 | 69 | 291.461 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | -0.69 | -61.57 | 3 | 5 | 1 | 68 | 290.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | 0.39 | -43.18 | 3 | 5 | 1 | 68 | 290.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | -1.12 | -9.85 | 2 | 5 | 0 | 67 | 289.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
