| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 22 | No |
Popular Name: (2R)-1-[4-[(1-isopropylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfanyl-propan-1-one (2R)-1-[4-[(1-isopropylpyrazol-4…
| 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) | 1.23 | 9.12 | -47.97 | 1 | 5 | 1 | 43 | 325.502 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 7.23 | -14.47 | 0 | 5 | 0 | 41 | 324.494 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
