| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: (4aS,8aS)-2-[(3R,6R)-6-methyl-3-piperidyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline (4aS,8aS)-2-[(3R,6R)-6-methyl-3-…
| 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) | 3.13 | 7.94 | -109.47 | 3 | 2 | 2 | 21 | 238.419 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 5.72 | -35.47 | 2 | 2 | 1 | 20 | 237.411 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 6.67 | -31.21 | 2 | 2 | 1 | 16 | 237.411 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
