| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 19 | Yes |
Popular Name: (3R)-3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(3-isopropyl-1-methyl-py…
| 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) | 1.15 | 4.66 | -45.75 | 3 | 5 | 1 | 64 | 265.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.41 | -9.86 | 2 | 5 | 0 | 59 | 264.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
