| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 20 | Yes |
Popular Name: (3S)-3-[(tert-butylamino)methyl]-6-methoxy-2,4-dihydro-1,5-benzodioxepin-3-ol (3S)-3-[(tert-butylamino)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) | 1.87 | 3.87 | -37.52 | 3 | 5 | 1 | 65 | 282.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 2.58 | -7.6 | 2 | 5 | 0 | 60 | 281.352 | 4 | ↓ |
