| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 18 | No |
Popular Name: 2-[isopropyl(propyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[isopropyl(propyl)amino]-1-(4-…
| 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) | 2.08 | 6.96 | -33.19 | 1 | 6 | 0 | 81 | 253.302 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.06 | -30.23 | 0 | 6 | -1 | 80 | 252.294 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 7.41 | -49.88 | 2 | 6 | 1 | 83 | 254.31 | 7 | ↓ |
