| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 18 | Yes |
Popular Name: N-[[(3S)-1-(2-pyridylmethyl)-3-piperidyl]methyl]propan-2-amine N-[[(3S)-1-(2-pyridylmethyl)-3-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) | 1.80 | 5.82 | -39.66 | 2 | 3 | 1 | 33 | 248.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.85 | -79.04 | 3 | 3 | 2 | 34 | 249.402 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 8.07 | -99.44 | 3 | 3 | 2 | 34 | 249.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
