| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 17 | No |
Popular Name: 2-[isobutyl(methyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[isobutyl(methyl)amino]-1-(4-n…
| 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) | 1.65 | 6.74 | -34.18 | 1 | 6 | 0 | 81 | 239.275 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 4.77 | -29.06 | 0 | 6 | -1 | 80 | 238.267 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 7.18 | -53.39 | 2 | 6 | 1 | 83 | 240.283 | 6 | ↓ |
