| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: azocan-1-yl-[(2S,5S)-5-methylpiperazin-2-yl]methanone azocan-1-yl-[(2S,5S)-5-methylpip…
| 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) | 1.33 | 3.23 | -45.12 | 3 | 4 | 1 | 49 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 1.96 | -6.9 | 2 | 4 | 0 | 44 | 239.363 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
