| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 24 | Yes |
Popular Name: [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methylBLAHone [(4aS,8aR)-3,4,4a,5,6,7,8,8a-oct…
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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) | 3.48 | 10.62 | -46.79 | 2 | 4 | 1 | 50 | 344.504 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 7.86 | -41.81 | 1 | 4 | 0 | 53 | 343.496 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 8.48 | -10.09 | 1 | 4 | 0 | 49 | 343.496 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
