| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 16 | Yes |
Popular Name: (6R)-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane (6R)-6-methyl-1-[(5-methylpyrazi…
| 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) | 0.54 | 3.3 | -35.54 | 2 | 4 | 1 | 42 | 221.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 2.27 | -36.28 | 2 | 4 | 1 | 46 | 221.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 1.01 | -4.43 | 1 | 4 | 0 | 41 | 220.32 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 4.56 | -110.25 | 3 | 4 | 2 | 47 | 222.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
