| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 21 | No |
Popular Name: (E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one (E)-1-(4-methyl-1,4-diazepan-1-y…
| 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) | 1.91 | 9.66 | -59.54 | 1 | 6 | 1 | 71 | 290.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 7.66 | -18.42 | 0 | 6 | 0 | 69 | 289.335 | 3 | ↓ |
