In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 15 | Yes |
Popular Name: (3R,4S)-N-ethyl-3-[(2S)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-amine (3R,4S)-N-ethyl-3-[(2S)-2-methyl…
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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) | 1.33 | 5.02 | -106.73 | 3 | 3 | 2 | 30 | 214.353 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 2.82 | -1.4 | 1 | 3 | 0 | 24 | 212.337 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 3.09 | -33.3 | 2 | 3 | 1 | 29 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 5.03 | -27.4 | 2 | 3 | 1 | 26 | 213.345 | 3 | ↓ |