| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 21 | Yes |
Popular Name: (2S)-4-[2-(azocan-1-yl)acetyl]-1-methyl-piperazine-2-carboxylic (2S)-4-[2-(azocan-1-yl)acetyl]-1…
| 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) | -0.72 | 8.56 | -84.77 | 2 | 6 | 1 | 69 | 298.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.72 | 6.34 | -71.3 | 1 | 6 | 0 | 68 | 297.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.72 | 7.32 | -44.88 | 1 | 6 | 0 | 68 | 297.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
