| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-chloro-benzoic 2-[(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) | 5.02 | 11.19 | -48.74 | 0 | 3 | -1 | 43 | 292.786 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.02 | 10.75 | -34.17 | 1 | 3 | 0 | 45 | 293.794 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
