| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | Yes |
Popular Name: (1S)-1-(3-pyridyl)-N-[(1S)-1-(3-pyridyl)ethyl]ethanamine (1S)-1-(3-pyridyl)-N-[(1S)-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) | 1.54 | 6.07 | -44.21 | 2 | 3 | 1 | 42 | 228.319 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 4.98 | -6.69 | 1 | 3 | 0 | 38 | 227.311 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 6.52 | -108.45 | 3 | 3 | 2 | 44 | 229.327 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
