| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: 2-[[(3S)-1-isopropylpyrrolidin-3-yl]-methyl-amino]-1-piperazin-1-yl-ethanone 2-[[(3S)-1-isopropylpyrrolidin-3…
| 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) | -0.19 | 3.73 | -90.15 | 3 | 5 | 2 | 45 | 270.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 2.4 | -37.43 | 2 | 5 | 1 | 40 | 269.413 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | -0.01 | -7.37 | 1 | 5 | 0 | 39 | 268.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 6.16 | -186.55 | 4 | 5 | 3 | 46 | 271.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 2.44 | -38.11 | 2 | 5 | 1 | 40 | 269.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 3.69 | -99.66 | 3 | 5 | 2 | 45 | 270.421 | 4 | ↓ |
