In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine N-[(5-bromo-2-thienyl)methyl]-1-…
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) | 3.24 | 7.25 | -51.8 | 2 | 3 | 1 | 35 | 341.25 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 5.83 | -6.76 | 1 | 3 | 0 | 30 | 340.242 | 4 | ↓ |