In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 18 | Yes |
Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-(3-fluoro-4-methoxy-phenyl)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) | 3.88 | 7.47 | -54.25 | 2 | 2 | 1 | 26 | 331.23 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 6.12 | -7.09 | 1 | 2 | 0 | 21 | 330.222 | 5 | ↓ |