| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]-2-methyl-propanenitrile (2S)-3-[ethyl-[2-(4-methylpipera…
| 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) | 0.49 | 5.66 | -48.43 | 1 | 5 | 1 | 52 | 253.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 3.3 | -10.14 | 0 | 5 | 0 | 51 | 252.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 7.41 | -107.27 | 2 | 5 | 2 | 53 | 254.378 | 5 | ↓ |
