| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 34 | No |
Popular Name: 1-(2-quinolyl)-3-[6-(2-quinolylthiocarbamoylamino)hexyl]thiourea 1-(2-quinolyl)-3-[6-(2-quinolylt…
| 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) | 5.91 | 15.94 | -32.41 | 4 | 6 | 0 | 74 | 488.686 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 15.8 | -45.78 | 5 | 6 | 1 | 75 | 489.694 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 15.66 | -68.51 | 6 | 6 | 2 | 76 | 490.702 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.