| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 18 | No |
Popular Name: (2S)-2-methyl-3-[4-(2-pyridyl)piperazin-1-yl]propanethioamide (2S)-2-methyl-3-[4-(2-pyridyl)pi…
| 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) | 0.69 | 6.91 | -97.52 | 4 | 4 | 2 | 48 | 266.414 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 4.76 | -10.66 | 2 | 4 | 0 | 45 | 264.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 4.99 | -34.56 | 3 | 4 | 1 | 47 | 265.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 6.59 | -43.89 | 3 | 4 | 1 | 47 | 265.406 | 4 | ↓ |
