In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 17 | Yes |
Popular Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(4-bromo-2-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) | 2.83 | 5.95 | -41.32 | 2 | 2 | 1 | 20 | 302.211 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 8.4 | -117.67 | 3 | 2 | 2 | 21 | 303.219 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 7.01 | -34.75 | 2 | 2 | 1 | 16 | 302.211 | 5 | ↓ |