| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: (2S)-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-2-piperazin-1-yl-propan-1-one (2S)-1-[4-[(1S)-1-methylpropyl]p…
| 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) | 0.42 | 4.14 | -85.38 | 3 | 5 | 2 | 45 | 284.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 0.93 | -7.05 | 1 | 5 | 0 | 39 | 282.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 2.29 | -40.81 | 2 | 5 | 1 | 43 | 283.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
