| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 30 | No |
Popular Name: 2,2-dimethyl-N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]propanamide 2,2-dimethyl-N-[6-[4-[(4-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) | 3.71 | 12.54 | -57.81 | 2 | 8 | 1 | 95 | 412.514 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 10.67 | -13.27 | 1 | 8 | 0 | 94 | 411.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 12.86 | -116.39 | 3 | 8 | 2 | 97 | 413.522 | 6 | ↓ |
