| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 20 | Yes |
Popular Name: 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-amino-benzoic 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-o…
| 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) | 3.31 | 8.29 | -57.85 | 2 | 4 | -1 | 69 | 273.356 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.19 | -37.53 | 3 | 4 | 0 | 71 | 274.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
