In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-phenethyl-ethane-1,2-diamine N-(2,3-dihydro-1,4-benzodioxin-6…
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) | 1.86 | 5.46 | -52.69 | 3 | 4 | 1 | 49 | 313.421 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 5.56 | -6.45 | 2 | 4 | 0 | 48 | 312.413 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 7.78 | -132.66 | 4 | 4 | 2 | 51 | 314.429 | 7 | ↓ |