| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (3R)-3-[[1-(3-methylbut-2-enyl)-4-piperidyl]amino]azepan-2-one (3R)-3-[[1-(3-methylbut-2-enyl)-…
| 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) | 2.19 | 6.91 | -109.89 | 4 | 4 | 2 | 50 | 281.444 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 6.75 | -40.8 | 3 | 4 | 1 | 46 | 280.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 4.64 | -40.2 | 3 | 4 | 1 | 49 | 280.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
