| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 26 | Yes |
Popular Name: 4-[(2S)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylamino]propoxy]-3,5-dimethyl-benzonitrile 4-[(2S)-2-[2-(3-hydroxy-4-methox…
None
| 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) | 3.76 | 8.23 | -56.08 | 3 | 5 | 1 | 79 | 355.458 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 7.02 | -9.69 | 2 | 5 | 0 | 75 | 354.45 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
