In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 20 | Yes |
Popular Name: 3-[(3S)-3-[4-(hydroxymethyl)-1-piperidyl]-1-piperidyl]-2,2-dimethyl-propan-1-ol 3-[(3S)-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 | 2.05 | -37.83 | 3 | 4 | 1 | 48 | 285.452 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 0.31 | -4.21 | 2 | 4 | 0 | 47 | 284.444 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 2.61 | -37.82 | 3 | 4 | 1 | 48 | 285.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 4.21 | -107.58 | 4 | 4 | 2 | 49 | 286.46 | 5 | ↓ |