| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 27 | Yes |
Popular Name: 2-[[(4S,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]methyl]benzoic 2-[[(4S,4aS,8aR)-4-hydroxy-4-phe…
| 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) | 4.19 | 11.06 | -46.18 | 2 | 4 | 0 | 65 | 365.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.19 | 10.3 | -53.72 | 1 | 4 | -1 | 64 | 364.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
