| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2006 | 24 | No |
Popular Name: 5-(azepan-1-ylaminomethylene)-1-phenyl-2-sulfanyl-pyrimidine-4,6-dione 5-(azepan-1-ylaminomethylene)-1-…
| 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) | 2.03 | 6.82 | -45.26 | 1 | 6 | -1 | 73 | 343.432 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 7.9 | -9.86 | 2 | 6 | 0 | 70 | 344.44 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 8.12 | -61.2 | 2 | 6 | 0 | 74 | 344.44 | 3 | ↓ |
