| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 36 | No |
Popular Name: 4-tert-butyl-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-tert-butyl-N-[6-[4-[(2-nitroph…
| 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) | 5.38 | 15.92 | -41.73 | 2 | 8 | 1 | 95 | 488.612 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 14.39 | -13.86 | 1 | 8 | 0 | 94 | 487.604 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.38 | 16.23 | -101.49 | 3 | 8 | 2 | 97 | 489.62 | 7 | ↓ |
