| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 21 | Yes |
Popular Name: 3-[(3R)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile 3-[(3R)-3-(5-ethyl-1,3,4-oxadiaz…
| 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) | 0.38 | 3.02 | -12.03 | 0 | 5 | 0 | 66 | 282.347 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.38 | 5.24 | -51.54 | 1 | 5 | 1 | 67 | 283.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
