| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 1-(4-methoxypyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(4-methoxypyrimidin-2-yl)-2,3,…
| 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) | 1.68 | 6.56 | -43.56 | 2 | 5 | 1 | 55 | 257.317 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 5.31 | -7.67 | 1 | 5 | 0 | 50 | 256.309 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 6.95 | -88.92 | 3 | 5 | 2 | 56 | 258.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
