| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | No |
Popular Name: (3S,4S)-4-(4-benzylpiperazin-1-yl)-1,1-dioxo-thiolan-3-amine (3S,4S)-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 | 1.48 | -134.45 | 4 | 5 | 2 | 69 | 311.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | -1.22 | -12.84 | 2 | 5 | 0 | 67 | 309.435 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | -0.91 | -71.5 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 1.06 | -45.74 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 1.16 | -47.55 | 3 | 5 | 1 | 68 | 310.443 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | 1.32 | -151 | 4 | 5 | 2 | 69 | 311.451 | 3 | ↓ |
