| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | No |
Popular Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-methyl-1,4-diazepane 1-[(4-chloro-3-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 | 8.09 | -43.71 | 1 | 5 | 1 | 53 | 284.767 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 5.91 | -8.15 | 0 | 5 | 0 | 52 | 283.759 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 9.92 | -129.53 | 2 | 5 | 2 | 55 | 285.775 | 3 | ↓ |
