| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (2S)-2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]propanenitrile (2S)-2-methyl-3-[methyl-[2-(4-me…
| 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) | 0.12 | 4.38 | -49.73 | 1 | 5 | 1 | 52 | 239.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 2.4 | -9.81 | 0 | 5 | 0 | 51 | 238.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 4.76 | -46.97 | 1 | 5 | 1 | 52 | 239.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 6.73 | -106.85 | 2 | 5 | 2 | 53 | 240.351 | 4 | ↓ |
