| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(4,6-dimethylpyrimidin-2-yl)-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) | 2.17 | 9.17 | -42.34 | 2 | 4 | 1 | 46 | 255.345 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 7.92 | -8.74 | 1 | 4 | 0 | 41 | 254.337 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 9.5 | -84.05 | 3 | 4 | 2 | 47 | 256.353 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
