| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | No |
Popular Name: (3S,4R)-4-(4-benzylpiperazin-1-yl)-1,1-dioxo-thiolan-3-amine (3S,4R)-4-(4-benzylpiperazin-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 | 2.79 | -131.26 | 4 | 5 | 2 | 69 | 311.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | 0.35 | -11.82 | 2 | 5 | 0 | 67 | 309.435 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 0.41 | -60.22 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 2.05 | -51.27 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 2.73 | -49.34 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | 2.12 | -153.48 | 4 | 5 | 2 | 69 | 311.451 | 3 | ↓ |
