In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 21 | Yes |
Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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) | 3.22 | 7.12 | -55.08 | 2 | 4 | 1 | 44 | 371.276 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 5.77 | -8.96 | 1 | 4 | 0 | 40 | 370.268 | 5 | ↓ |