| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 18 | Yes |
Popular Name: (4aS,8aS)-2-[[(3S)-3-methyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline (4aS,8aS)-2-[[(3S)-3-methyl-3-pi…
| 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) | 3.08 | 8.62 | -98.55 | 3 | 2 | 2 | 21 | 252.446 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.77 | -36.38 | 2 | 2 | 1 | 20 | 251.438 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.44 | -33.12 | 2 | 2 | 1 | 16 | 251.438 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
