| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | No |
Popular Name: 2-[2-dimethylaminoethyl(isobutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[2-dimethylaminoethyl(isobutyl…
| 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) | 1.68 | 7.63 | -53.14 | 2 | 7 | 1 | 86 | 297.379 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 4.51 | -30.72 | 0 | 7 | -1 | 83 | 295.363 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 6.1 | -34.91 | 1 | 7 | 0 | 85 | 296.371 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 6.99 | -44.55 | 1 | 7 | 0 | 85 | 296.371 | 9 | ↓ |
