| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 20 | No |
Popular Name: 2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-1-phenyl-guanidine 2-(4-oxo-6-propyl-1H-pyrimidin-2…
| 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) | 2.72 | 9.62 | -18.92 | 4 | 6 | 0 | 94 | 271.324 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 8.88 | -11.29 | 3 | 6 | 0 | 98 | 270.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 7.85 | -50.2 | 3 | 6 | -1 | 99 | 270.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 7.44 | -52.54 | 3 | 6 | -1 | 99 | 270.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 9.03 | -10.88 | 4 | 6 | 0 | 96 | 271.324 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 9.46 | -12.27 | 4 | 6 | 0 | 96 | 271.324 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 9.63 | -37.68 | 5 | 6 | 1 | 95 | 272.332 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
