In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 18 | Yes |
Popular Name: N-[[5-(3-chloro-4-fluoro-phenyl)-2-thienyl]methyl]cyclopropanamine 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) | 4.45 | 9.39 | -40.81 | 2 | 1 | 1 | 17 | 282.791 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.45 | 8.12 | -3.4 | 1 | 1 | 0 | 12 | 281.783 | 4 | ↓ |