| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 22 | Yes |
Popular Name: 1-[4-(2-hydroxy-5-isopropyl-benzoyl)-1,4-diazepan-1-yl]ethanone 1-[4-(2-hydroxy-5-isopropyl-benz…
| 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) | 2.40 | 6.05 | -15.08 | 1 | 5 | 0 | 61 | 304.39 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 6.91 | -58.69 | 0 | 5 | -1 | 64 | 303.382 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
