| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | Yes |
Popular Name: (3S)-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]azepane (3S)-3-[4-[(1R)-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) | 1.77 | 5.13 | -86.08 | 3 | 3 | 2 | 24 | 241.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 1.91 | -0.66 | 1 | 3 | 0 | 19 | 239.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 3.85 | -29.63 | 2 | 3 | 1 | 20 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 3.3 | -38.48 | 2 | 3 | 1 | 23 | 240.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
