| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-phenyl-propan-1-amine (3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8…
| 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) | 3.29 | 8.75 | -111.75 | 4 | 2 | 2 | 32 | 274.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 6.5 | -44.31 | 3 | 2 | 1 | 31 | 273.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
