| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 20 | Yes |
Popular Name: 4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-methyl-benzoic 4-[(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) | 4.27 | 10.43 | -52.16 | 0 | 3 | -1 | 43 | 272.368 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 10.67 | -60.85 | 1 | 3 | 0 | 45 | 273.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
