| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | No |
Popular Name: [(3S)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(4-methylpiperazin-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) | -1.37 | -0.9 | -120.83 | 4 | 5 | 2 | 69 | 249.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | -1.72 | -43.98 | 3 | 5 | 1 | 68 | 248.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | -3.63 | -10.3 | 2 | 5 | 0 | 67 | 247.364 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.37 | -3.27 | -61.81 | 3 | 5 | 1 | 68 | 248.372 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
