| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: 3-[4-[(1R)-1-hydroxyethyl]-N-(3-pyridylmethyl)anilino]propanenitrile 3-[4-[(1R)-1-hydroxyethyl]-N-(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) | 1.22 | 6.47 | -12.61 | 1 | 4 | 0 | 60 | 281.359 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 6.94 | -45.54 | 2 | 4 | 1 | 61 | 282.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
