| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 30 | Yes |
Popular Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2-pyridylmethyl)-1,4-diazepan-5-one 1-[(3-benzyloxyphenyl)methyl]-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) | 3.08 | 12.74 | -47.33 | 1 | 5 | 1 | 47 | 402.518 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 10.64 | -10.23 | 0 | 5 | 0 | 46 | 401.51 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 13.12 | -112.34 | 2 | 5 | 2 | 48 | 403.526 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
