| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-3-(4-ethylpiperazin-1-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4-ethylpiperazin-1-yl)-…
| 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) | 0.31 | 4.46 | -183.71 | 5 | 4 | 3 | 40 | 257.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | -0.36 | -41.58 | 3 | 4 | 1 | 37 | 255.43 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 1.47 | -32.14 | 3 | 4 | 1 | 37 | 255.43 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 2.2 | -105.49 | 4 | 4 | 2 | 39 | 256.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 1.9 | -97.64 | 4 | 4 | 2 | 39 | 256.438 | 4 | ↓ |
