| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | No |
Popular Name: 2-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-6-propyl-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) | 3.62 | 7.05 | -10.87 | 1 | 7 | 0 | 104 | 326.765 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 5.41 | -49.56 | 0 | 7 | -1 | 108 | 325.757 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 6.73 | -19.09 | 1 | 7 | 0 | 104 | 326.765 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
