| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | No |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-(4-methyl-1,4-diazepan-1-yl)-1…
| 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) | 0.69 | 5.21 | -45.73 | 1 | 7 | 0 | 85 | 266.301 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 2.73 | -31.19 | 0 | 7 | -1 | 83 | 265.293 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 5.66 | -46.11 | 2 | 7 | 1 | 86 | 267.309 | 4 | ↓ |
