| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 21 | Yes |
Popular Name: N-[(1S)-3-methyl-1-(3-pyridyl)butyl]-1-propyl-piperidin-4-amine N-[(1S)-3-methyl-1-(3-pyridyl)bu…
| 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) | 2.49 | 8.89 | -36.44 | 2 | 3 | 1 | 29 | 290.475 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 9.73 | -108.1 | 3 | 3 | 2 | 34 | 291.483 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.26 | -40.54 | 2 | 3 | 1 | 33 | 290.475 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 9.11 | -81.74 | 3 | 3 | 2 | 31 | 291.483 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
