| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 19 | No |
Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-methyl-1,4-diazepane 1-[(2-chloro-5-nitro-phenyl)meth…
| 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) | 2.47 | 8.28 | -38.53 | 1 | 5 | 1 | 53 | 284.767 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 6.2 | -4.53 | 0 | 5 | 0 | 52 | 283.759 | 3 | ↓ |
