| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropyl-ethanone 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-o…
| 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) | 2.56 | 9.32 | -32.63 | 1 | 2 | 1 | 22 | 222.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.96 | -4.52 | 0 | 2 | 0 | 20 | 221.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
