| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 19 | Yes |
Popular Name: (4aR,8aS)-1-[[(3S)-3-ethyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3S)-3-ethyl-3-pip…
| 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) | 3.30 | 9.11 | -102.74 | 3 | 2 | 2 | 21 | 266.473 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.39 | -36.61 | 2 | 2 | 1 | 20 | 265.465 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.79 | -30.17 | 2 | 2 | 1 | 16 | 265.465 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
