In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: N-[(4-chloro-3-fluoro-phenyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(4-chloro-3-fluoro-phenyl)met…
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) | 2.70 | 8.29 | -127.29 | 3 | 2 | 2 | 21 | 258.768 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 5.84 | -48.32 | 2 | 2 | 1 | 20 | 257.76 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.93 | -37.62 | 2 | 2 | 1 | 16 | 257.76 | 5 | ↓ |