In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 27 | Yes |
Popular Name: 2-[(2S)-4-[[4-(difluoromethoxy)phenyl]methyl]-1-(1-methyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-[[4-(difluoromethoxy)p…
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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) | 2.29 | 3.34 | -38.34 | 2 | 5 | 1 | 40 | 384.491 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 3.57 | -40.76 | 2 | 5 | 1 | 40 | 384.491 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 5.75 | -104.14 | 3 | 5 | 2 | 42 | 385.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 5.94 | -93.69 | 3 | 5 | 2 | 42 | 385.499 | 7 | ↓ |