| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | Yes |
Popular Name: [(2S,3R)-3-methyl-1-[(3R)-tetrahydrofuran-3-yl]-2-piperidyl]methanamine [(2S,3R)-3-methyl-1-[(3R)-tetrah…
| 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) | 0.39 | 0.98 | -48.52 | 3 | 3 | 1 | 40 | 199.318 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 2.31 | -30.24 | 3 | 3 | 1 | 40 | 199.318 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 2.64 | -115.47 | 4 | 3 | 2 | 41 | 200.326 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
