| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 21 | No |
Popular Name: (3S)-N-[2-[4-(2-dimethylaminoethyl)piperazin-1-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-[4-(2-dimethylaminoeth…
| 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) | -0.43 | 0.46 | -105.02 | 3 | 6 | 2 | 62 | 320.503 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -3.17 | -11.87 | 1 | 6 | 0 | 56 | 318.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | -0.68 | -45.47 | 2 | 6 | 1 | 57 | 319.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.58 | -104.53 | 3 | 6 | 2 | 58 | 320.503 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 2.72 | -210.86 | 4 | 6 | 3 | 63 | 321.511 | 7 | ↓ |
