| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(2S)-piperazin-2-yl]methanone [(4aR,8aS)-3,4,4a,5,6,7,8,8a-oct…
| 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) | 0.90 | 3.24 | -47.01 | 3 | 4 | 1 | 49 | 252.382 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.9 | -6.43 | 2 | 4 | 0 | 44 | 251.374 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
