| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(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) | 2.04 | 9.82 | -9.98 | 1 | 4 | 0 | 37 | 252.387 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 9.04 | -46.5 | 0 | 4 | -1 | 34 | 251.379 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 9.12 | -40.78 | 1 | 4 | 0 | 35 | 252.387 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
