In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 17 | Yes |
Popular Name: (5R)-1-(1,3-benzodioxol-5-yl)-5-methyl-1,4-diazepane (5R)-1-(1,3-benzodioxol-5-yl)-5-…
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) | 2.18 | 4.99 | -45.23 | 2 | 4 | 1 | 38 | 235.307 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 3.84 | -5.61 | 1 | 4 | 0 | 34 | 234.299 | 1 | ↓ |