In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 20 | Yes |
Popular Name: 3-[(3R)-3-[4-(hydroxymethyl)-1-piperidyl]-1-piperidyl]-2,2-dimethyl-propan-1-ol 3-[(3R)-3-[4-(hydroxymethyl)-1-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) | 1.43 | 1.89 | -37.37 | 3 | 4 | 1 | 48 | 285.452 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 0.14 | -3.9 | 2 | 4 | 0 | 47 | 284.444 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 2.48 | -39 | 3 | 4 | 1 | 48 | 285.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 4.19 | -106.63 | 4 | 4 | 2 | 49 | 286.46 | 5 | ↓ |