| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | No |
Popular Name: 2-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(6-chloro-3-nitro-2-pyridyl)s…
| 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) | 2.55 | 5.54 | -11.4 | 1 | 7 | 0 | 104 | 298.711 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 3.85 | -49.64 | 0 | 7 | -1 | 108 | 297.703 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 5.21 | -20.49 | 1 | 7 | 0 | 104 | 298.711 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
