| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3R)-3-[(3R,4S)-3-amino-4-methyl-1-piperidyl]azepan-2-one (3R)-3-[(3R,4S)-3-amino-4-methyl…
| 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) | 0.08 | 2.33 | -53.83 | 4 | 4 | 1 | 60 | 226.344 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.08 | 2.89 | -118.66 | 5 | 4 | 2 | 61 | 227.352 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.08 | 2.58 | -34.13 | 4 | 4 | 1 | 60 | 226.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
