| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 20 | Yes |
Popular Name: 2,2-dimethyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one 2,2-dimethyl-1-[4-[(1-methylimid…
| 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) | 1.09 | 6.24 | -15.63 | 0 | 5 | 0 | 41 | 278.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 6.47 | -33.39 | 1 | 5 | 1 | 43 | 279.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 8.12 | -47.93 | 1 | 5 | 1 | 43 | 279.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
