| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-phenyl-propanenitrile (3S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8…
| 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) | 3.56 | 10.72 | -36.49 | 1 | 2 | 1 | 28 | 269.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 9.07 | -4.72 | 0 | 2 | 0 | 27 | 268.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
