| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(azocan-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one (2S)-2-(azocan-1-yl)-1-(4-ethylp…
None
None
| 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) | 2.21 | 6.78 | -33.52 | 1 | 4 | 1 | 28 | 282.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 5.39 | -7.05 | 0 | 4 | 0 | 27 | 281.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 9 | -91.64 | 2 | 4 | 2 | 29 | 283.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
