| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | Yes |
Popular Name: (1R,2R)-1-(4-propylphenoxy)-1-(3-pyridyl)butan-2-amine (1R,2R)-1-(4-propylphenoxy)-1-(3…
| 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) | 3.39 | 7.82 | -45.03 | 3 | 3 | 1 | 50 | 285.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.38 | -5.39 | 2 | 3 | 0 | 48 | 284.403 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 8.13 | -104.69 | 4 | 3 | 2 | 51 | 286.419 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
