| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 21 | No |
Popular Name: (2R)-1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfanyl-propan-1-one (2R)-1-[4-[(1-ethylpyrazol-4-yl)…
| 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) | 0.87 | 8.6 | -49.16 | 1 | 5 | 1 | 43 | 311.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 6.76 | -14.74 | 0 | 5 | 0 | 41 | 310.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
