In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 19 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-yl)-2-(1,4-diazepan-1-yl)-1-ethanol 1-(1,3-benzodioxol-5-yl)-2-(1,4-…
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) | 0.61 | 1.69 | -40.19 | 3 | 5 | 1 | 55 | 265.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.61 | 0.74 | -42.61 | 3 | 5 | 1 | 59 | 265.333 | 3 | ↓ |