| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: [4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-chloro-phenyl]methanamine [4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-…
| 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) | 4.12 | 8.33 | -46.31 | 3 | 2 | 1 | 31 | 279.835 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 7.93 | -2.04 | 2 | 2 | 0 | 29 | 278.827 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
