| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 21 | Yes |
Popular Name: (2R)-1-(azepan-1-yl)-2-[[(2S)-2-(1-piperidyl)propyl]amino]propan-1-one (2R)-1-(azepan-1-yl)-2-[[(2S)-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) | 2.46 | 7.74 | -31.6 | 2 | 4 | 1 | 37 | 296.479 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 8.97 | -113.58 | 3 | 4 | 2 | 41 | 297.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
