In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 17 | Yes |
Popular Name: N-[[5-(3-chloro-4-fluoro-phenyl)-2-thienyl]methyl]ethanamine N-[[5-(3-chloro-4-fluoro-phenyl)…
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) | 4.46 | 8.68 | -42.24 | 2 | 1 | 1 | 17 | 270.78 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.46 | 7.32 | -3.83 | 1 | 1 | 0 | 12 | 269.772 | 4 | ↓ |