In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2008 | 24 | Yes |
Popular Name: 2-[(2R)-4-(2-ethylbutyl)-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2R)-4-(2-ethylbutyl)-1-(1-is…
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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) | 3.08 | 4.22 | -33.86 | 2 | 4 | 1 | 31 | 340.576 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 4.29 | -35.04 | 2 | 4 | 1 | 31 | 340.576 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 6.66 | -92.21 | 3 | 4 | 2 | 32 | 341.584 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 6.58 | -119.51 | 3 | 4 | 2 | 32 | 341.584 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 6.47 | -102.14 | 3 | 4 | 2 | 32 | 341.584 | 8 | ↓ |