| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 16 | Yes |
Popular Name: N-[[(3S)-3-methyl-3-piperidyl]methyl]cycloheptanamine N-[[(3S)-3-methyl-3-piperidyl]me…
| 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) | 2.96 | 6.55 | -99.79 | 4 | 2 | 2 | 33 | 226.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 5.59 | -36.06 | 3 | 2 | 1 | 29 | 225.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 5.24 | -36.69 | 3 | 2 | 1 | 29 | 225.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
