| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 23 | No |
Popular Name: N-(3-methylsulfanylpropyl)-2-[(2S)-3-oxo-1-(2-pyridylmethyl)piperazin-2-yl]acetamide N-(3-methylsulfanylpropyl)-2-[(2…
| 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) | 0.92 | 4.65 | -41.56 | 3 | 6 | 1 | 76 | 337.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 3.12 | -14.65 | 2 | 6 | 0 | 74 | 336.461 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.31 | -42.24 | 3 | 6 | 1 | 76 | 337.469 | 8 | ↓ |
