| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 22 | No |
Popular Name: 6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-ol 6-[(2-methyl-5-quinolyl)amino]-5…
| 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) | 1.99 | 7.67 | -24.34 | 2 | 8 | 0 | 116 | 297.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 5.32 | -45.11 | 1 | 8 | -1 | 120 | 296.266 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 5.71 | -56.66 | 2 | 8 | 0 | 121 | 297.274 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 7.35 | -60.58 | 3 | 8 | 1 | 118 | 298.282 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
