In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N'…
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) | 2.90 | 5.36 | -41.34 | 2 | 4 | 1 | 38 | 305.32 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 3.6 | -6.91 | 1 | 4 | 0 | 34 | 304.312 | 7 | ↓ |