| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 2-[[(1R)-1-methylpropyl]amino]-1-[4-(2-pyridylmethyl)piperazin-1-yl]ethanone 2-[[(1R)-1-methylpropyl]amino]-1…
| 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) | 0.78 | 4.63 | -41.79 | 2 | 5 | 1 | 53 | 291.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 3.59 | -9.47 | 1 | 5 | 0 | 48 | 290.411 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 5.36 | -81.5 | 3 | 5 | 2 | 54 | 292.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 6.84 | -99.1 | 3 | 5 | 2 | 54 | 292.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 7.6 | -182.56 | 4 | 5 | 3 | 55 | 293.435 | 6 | ↓ |
