| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: N-[(1S)-1-(2,3-dimethylphenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(2,3-dimethylphenyl)-2…
| 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) | 3.99 | 9.48 | -33.75 | 2 | 2 | 1 | 29 | 269.412 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 8.82 | -3.91 | 1 | 2 | 0 | 25 | 268.404 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 9.98 | -106.36 | 3 | 2 | 2 | 31 | 270.42 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
