| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 17 | Yes |
Popular Name: (4aR,8aS)-1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3S)-3-methylpyrro…
| 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) | 3.05 | 7.88 | -100.57 | 3 | 2 | 2 | 21 | 238.419 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 6.43 | -30.17 | 2 | 2 | 1 | 16 | 237.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 6.23 | -37.32 | 2 | 2 | 1 | 20 | 237.411 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
