| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (2S)-1-(4-ethylpiperazin-1-yl)-2…
| 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) | -0.09 | 1.53 | -44.78 | 2 | 6 | 1 | 51 | 313.466 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 1.51 | -38.61 | 2 | 6 | 1 | 51 | 313.466 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | -0.7 | -9.18 | 1 | 6 | 0 | 50 | 312.458 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 3.73 | -83.21 | 3 | 6 | 2 | 53 | 314.474 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
