| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 20 | No |
Popular Name: (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfanyl-propan-1-one (2S)-1-[4-[(1-methylimidazol-2-y…
| 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) | 0.27 | 6.52 | -17.65 | 0 | 5 | 0 | 41 | 296.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 6.75 | -35.9 | 1 | 5 | 1 | 43 | 297.448 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 8.37 | -51.25 | 1 | 5 | 1 | 43 | 297.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
