| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2009 | 26 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-(2-methylanilino)-2-oxo-ethyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-(2-methylani…
| 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) | 2.18 | 8.33 | -41.21 | 2 | 6 | 1 | 57 | 361.51 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 8.33 | -52.68 | 2 | 6 | 1 | 57 | 361.51 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 6.34 | -16.97 | 1 | 6 | 0 | 56 | 360.502 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 10.32 | -125.09 | 3 | 6 | 2 | 58 | 362.518 | 7 | ↓ |
