In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 24 | Yes |
Popular Name: [1-[(3R)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-piperidyl]-4-piperidyl]methanol [1-[(3R)-1-[(2-fluoro-5-methoxy-…
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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) | 2.45 | 5.58 | -35.73 | 2 | 4 | 1 | 37 | 337.459 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 3.17 | -5.52 | 1 | 4 | 0 | 36 | 336.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 5.54 | -37.61 | 2 | 4 | 1 | 37 | 337.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 7.81 | -108.3 | 3 | 4 | 2 | 38 | 338.467 | 5 | ↓ |