In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 18 | Yes |
Popular Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(3-bromo-4-fluoro-phenyl)meth…
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) | 3.10 | 7.65 | -37.02 | 2 | 2 | 1 | 16 | 316.238 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 9.07 | -117.36 | 3 | 2 | 2 | 21 | 317.246 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 6.55 | -50.46 | 2 | 2 | 1 | 20 | 316.238 | 6 | ↓ |