| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 13 | No |
Popular Name: (4aR,8aS)-5,8-dichloro-1,2,3,4,4a,8a-hexahydroisoquinolin-7-amine (4aR,8aS)-5,8-dichloro-1,2,3,4,4…
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| 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) | 1.62 | 3.66 | -46.36 | 3 | 2 | 1 | 40 | 220.123 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 2.32 | -2.94 | 2 | 2 | 0 | 36 | 219.115 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
