In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-1-methyl-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) | 2.69 | 6.86 | -38.6 | 2 | 2 | 1 | 16 | 257.76 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 5.67 | -47.84 | 2 | 2 | 1 | 20 | 257.76 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 8.05 | -116.16 | 3 | 2 | 2 | 21 | 258.768 | 3 | ↓ |