| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 19 | No |
Popular Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfanyl-ethanone 1-[4-[(1-methylimidazol-2-yl)met…
| 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) | -0.09 | 6.24 | -17.44 | 0 | 5 | 0 | 41 | 282.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 6.75 | -36.57 | 1 | 5 | 1 | 43 | 283.421 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 8.21 | -110.14 | 2 | 5 | 2 | 44 | 284.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 8.04 | -49.92 | 1 | 5 | 1 | 43 | 283.421 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
