In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2008 | 32 | Yes |
Popular Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-isobutoxyphenyl)methyl]-N-(4-pyridylmethyl)acetamide 2-(1,3-benzodioxol-5-yl)-N-[(4-i…
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) | 4.05 | 11.83 | -17.24 | 0 | 6 | 0 | 61 | 432.52 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 12.11 | -55.47 | 1 | 6 | 1 | 62 | 433.528 | 9 | ↓ |