In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 16 | Yes |
Popular Name: 1-[5-(3-chloro-2-fluoro-phenyl)-2-thienyl]-N-methyl-methanamine 1-[5-(3-chloro-2-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) | 4.06 | 7.92 | -42.69 | 2 | 1 | 1 | 17 | 256.753 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 6.48 | -5.82 | 1 | 1 | 0 | 12 | 255.745 | 3 | ↓ |