| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2009 | 17 | No |
Popular Name: (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-methylpiperazin-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) | -0.46 | 0.78 | -114.48 | 3 | 5 | 2 | 58 | 263.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | -2.75 | -11.78 | 1 | 5 | 0 | 53 | 261.391 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | -0.5 | -49.88 | 2 | 5 | 1 | 54 | 262.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | -0.37 | -44.99 | 2 | 5 | 1 | 54 | 262.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | -1.6 | -60.81 | 2 | 5 | 1 | 57 | 262.399 | 4 | ↓ |
