| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 27 | Yes |
Popular Name: (3R)-4-benzyl-3-ethyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1,4-diazepan-5-one (3R)-4-benzyl-3-ethyl-1-[(5-meth…
| 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) | 2.97 | 11.79 | -52.19 | 1 | 5 | 1 | 43 | 369.533 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 9.74 | -12.81 | 0 | 5 | 0 | 41 | 368.525 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
