In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2009 | 24 | Yes |
Popular Name: (6S,11aS)-8,9-dimethoxy-6-phenyl-2,3,4,6,11,11a-hexahydro-1H-pyrazino[1,2-b]isoquinoline (6S,11aS)-8,9-dimethoxy-6-phenyl…
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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) | 2.42 | 6.66 | -49.39 | 2 | 4 | 1 | 38 | 325.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.3 | -7.19 | 1 | 4 | 0 | 34 | 324.424 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 8.59 | -129.48 | 3 | 4 | 2 | 40 | 326.44 | 3 | ↓ |