| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 2-[methyl-(1-methyl-4-piperidyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[methyl-(1-methyl-4-piperidyl)…
| 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) | 0.95 | 5.76 | -51.62 | 2 | 7 | 1 | 86 | 281.336 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 5.3 | -50.86 | 1 | 7 | 0 | 85 | 280.328 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.14 | -33.93 | 1 | 7 | 0 | 85 | 280.328 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.59 | -53.96 | 2 | 7 | 1 | 86 | 281.336 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 7.98 | -123.97 | 3 | 7 | 2 | 88 | 282.344 | 5 | ↓ |
