In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-1-ethyl-piperidin-4-amine N-[(3-chloro-4-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) | 3.06 | 7.52 | -37.75 | 2 | 2 | 1 | 16 | 271.787 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 6.48 | -47.81 | 2 | 2 | 1 | 20 | 271.787 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 8.71 | -116.71 | 3 | 2 | 2 | 21 | 272.795 | 4 | ↓ |