| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 22 | Yes |
Popular Name: 2-[(2S)-4-isobutyl-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-isobutyl-1-(1-isopropy…
| 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 | 3.95 | -32.15 | 2 | 4 | 1 | 31 | 312.522 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.06 | -33.4 | 2 | 4 | 1 | 31 | 312.522 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 6.06 | -85.17 | 3 | 4 | 2 | 32 | 313.53 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 6.15 | -99.3 | 3 | 4 | 2 | 32 | 313.53 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 5.97 | -114.55 | 3 | 4 | 2 | 32 | 313.53 | 6 | ↓ |
