| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepine-3,6-diol (3S)-3-[(isopropylamino)methyl]-…
| 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) | 1.05 | 1.37 | -38.7 | 4 | 5 | 1 | 76 | 254.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 0.11 | -6.91 | 3 | 5 | 0 | 71 | 253.298 | 3 | ↓ |
