| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2009 | 18 | Yes |
Popular Name: 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one 2-[4-(methylamino)piperidin-1-yl…
Find On: PubMed — Wikipedia — Google
CAS Number: 1184446-20-5
| 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) | -0.24 | 3.6 | -86.36 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 1.25 | -41.17 | 2 | 5 | 1 | 43 | 255.386 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 4.51 | -95.79 | 3 | 5 | 2 | 41 | 256.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 3.42 | -104.48 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 5.77 | -170.47 | 4 | 5 | 3 | 46 | 257.402 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
