In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: (3S,4S)-N,3-dimethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]piperidin-4-amine (3S,4S)-N,3-dimethyl-1-[[(2S)-te…
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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) | 1.87 | 4.83 | -31.76 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 3.78 | -36.33 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 6.09 | -97.79 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |