In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: 1-(3-chloro-4-fluoro-phenyl)-N-(tetrahydropyran-4-ylmethyl)methanamine 1-(3-chloro-4-fluoro-phenyl)-N-(…
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) | 3.02 | 6.75 | -52.65 | 2 | 2 | 1 | 26 | 258.744 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 5.39 | -4.66 | 1 | 2 | 0 | 21 | 257.736 | 4 | ↓ |