| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 22 | Yes |
Popular Name: 2-but-3-enoxy-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone 2-but-3-enoxy-1-[4-[(1-methylimi…
| 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) | 0.29 | 7.49 | -18.28 | 0 | 6 | 0 | 51 | 306.41 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.29 | 7.99 | -37.23 | 1 | 6 | 1 | 52 | 307.418 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 9.28 | -50.38 | 1 | 6 | 1 | 52 | 307.418 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 9.46 | -110.57 | 2 | 6 | 2 | 53 | 308.426 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
