| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 25 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-[(5-methylis…
| 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) | 0.61 | 6.13 | -47.55 | 2 | 8 | 1 | 83 | 352.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 6.15 | -51.36 | 2 | 8 | 1 | 83 | 352.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 4.13 | -17.01 | 1 | 8 | 0 | 82 | 351.451 | 7 | ↓ |
