In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[(4-chloro-3-fluoro-phenyl)methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[(4-chloro-3-fluoro-pheny…
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) | 4.63 | 9.32 | -42.82 | 2 | 1 | 1 | 17 | 284.807 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.63 | 7.88 | -4.52 | 1 | 1 | 0 | 12 | 283.799 | 5 | ↓ |