| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-thienylmethyl)ethanamine 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) | 3.71 | 8.12 | -36.23 | 2 | 2 | 1 | 16 | 279.473 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 9.47 | -122.8 | 3 | 2 | 2 | 21 | 280.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
