| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 28 | Yes |
Popular Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-propan-1-one (2S)-1-(4-benzylpiperazin-1-yl)-…
| 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) | 3.45 | 8.2 | -12.66 | 1 | 6 | 0 | 69 | 400.548 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 8.75 | -68.77 | 1 | 6 | 0 | 74 | 400.548 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.44 | -59.73 | 2 | 6 | 1 | 70 | 401.556 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 10.53 | -94.36 | 3 | 6 | 2 | 72 | 402.564 | 7 | ↓ |
