| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 20 | No |
Popular Name: 1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfanyl-ethanone 1-[4-[(1-ethylpyrazol-4-yl)methy…
| 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) | 0.50 | 8.2 | -48.94 | 1 | 5 | 1 | 43 | 297.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 6.36 | -14.7 | 0 | 5 | 0 | 41 | 296.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
