In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 31 | Yes |
Popular Name: 4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyphenyl)benzamide 4-[[1,3-benzodioxol-5-ylmethyl(2…
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) | 3.02 | 5.35 | -56.22 | 4 | 7 | 1 | 92 | 421.473 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 3.44 | -13.63 | 3 | 7 | 0 | 91 | 420.465 | 8 | ↓ |