| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-pyridylmethyl)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) | 2.64 | 7.17 | -36.89 | 2 | 3 | 1 | 29 | 274.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 8.54 | -120.26 | 3 | 3 | 2 | 34 | 275.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
