| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 23 | Yes |
Popular Name: N-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethoxy]phenyl]propanamide N-[4-[2-(4-methyl-1,4-diazepan-1…
| 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) | 1.56 | 8.17 | -48.62 | 2 | 6 | 1 | 63 | 320.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 6.09 | -15.57 | 1 | 6 | 0 | 62 | 319.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
