| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 21 | Yes |
Popular Name: N-[(1S)-1-(3-pyridyl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine N-[(1S)-1-(3-pyridyl)-2-(2,4,6-t…
| 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) | 4.33 | 9.68 | -44.11 | 2 | 2 | 1 | 29 | 283.439 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 9.63 | -4.06 | 1 | 2 | 0 | 25 | 282.431 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 11.05 | -105.11 | 3 | 2 | 2 | 31 | 284.447 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
