In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 25 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (1S)-1-(1,3-benzodioxol-5-ylmeth…
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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) | 3.23 | 8.45 | -52.43 | 1 | 5 | 1 | 41 | 342.415 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 6.76 | -11.81 | 0 | 5 | 0 | 40 | 341.407 | 4 | ↓ |