| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: [(3S)-3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-[(3R)-3,4-dimethylpipera…
| 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) | -0.77 | 0.13 | -107.07 | 4 | 5 | 2 | 69 | 277.434 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.77 | -2.57 | -9.59 | 2 | 5 | 0 | 67 | 275.418 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | -2.17 | -46.54 | 3 | 5 | 1 | 68 | 276.426 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
