| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 37 | Yes |
Popular Name: 5-[[bis[(8-hydroxy-5-quinolyl)methyl]amino]methyl]quinolin-8-ol 5-[[bis[(8-hydroxy-5-quinolyl)me…
| 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) | 4.52 | 6.12 | -67.71 | 4 | 7 | 1 | 104 | 489.555 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 3.77 | -57.82 | 2 | 7 | -1 | 105 | 487.539 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 5.17 | -109.5 | 1 | 7 | -2 | 108 | 486.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 6.9 | -80.03 | 3 | 7 | 0 | 107 | 488.547 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 3.64 | -17.96 | 3 | 7 | 0 | 103 | 488.547 | 6 | ↓ |
