| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 16 | Yes |
Popular Name: (1S)-1-(3-pyridyl)-N-[(1R)-1-(2-thienyl)ethyl]ethanamine (1S)-1-(3-pyridyl)-N-[(1R)-1-(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) | 2.68 | 6.78 | -38.97 | 2 | 2 | 1 | 29 | 233.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.56 | -4.5 | 1 | 2 | 0 | 25 | 232.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
