| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 19 | Yes |
Popular Name: N-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethyl]cyclohexanamine N-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8…
| 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) | 4.32 | 9.74 | -119.67 | 3 | 2 | 2 | 21 | 266.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 8.58 | -33.5 | 2 | 2 | 1 | 16 | 265.465 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 7.5 | -37.09 | 2 | 2 | 1 | 20 | 265.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
