In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2010 | 27 | Yes |
Popular Name: 2-[(2R)-1-(1-isopropyl-4-piperidyl)-4-(1-propyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2R)-1-(1-isopropyl-4-piperid…
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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) | 2.25 | 6.02 | -87.72 | 3 | 5 | 2 | 36 | 382.637 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 5.83 | -76.02 | 3 | 5 | 2 | 36 | 382.637 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 5.73 | -87.82 | 3 | 5 | 2 | 36 | 382.637 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 7.95 | -164.59 | 4 | 5 | 3 | 37 | 383.645 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 8.25 | -167.77 | 4 | 5 | 3 | 37 | 383.645 | 7 | ↓ |