In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | No |
Popular Name: [(3S)-3-(4-ethyl-1-piperidyl)tetrahydrothiophen-3-yl]methanamine [(3S)-3-(4-ethyl-1-piperidyl)tet…
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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) | 1.70 | 4.25 | -46.26 | 3 | 2 | 1 | 31 | 229.413 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 3.91 | -1.73 | 2 | 2 | 0 | 29 | 228.405 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.94 | -125.79 | 4 | 2 | 2 | 32 | 230.421 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.61 | -32.77 | 3 | 2 | 1 | 30 | 229.413 | 3 | ↓ |