In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 19 | Yes |
Popular Name: 2-bromo-4-[[(5-bromo-2-thienyl)methylamino]methyl]-6-methoxy-phenol 2-bromo-4-[[(5-bromo-2-thienyl)m…
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) | 4.03 | 5.87 | -55.71 | 3 | 3 | 1 | 46 | 408.135 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 4.52 | -6.94 | 2 | 3 | 0 | 41 | 407.127 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 6.79 | -68.48 | 2 | 3 | 0 | 49 | 407.127 | 5 | ↓ |