In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 16 | Yes |
Popular Name: (1R,2R)-1-(4-fluorophenyl)-N1-methyl-N1-propyl-propane-1,2-diamine (1R,2R)-1-(4-fluorophenyl)-N1-me…
None
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) | 2.17 | 6.42 | -118.74 | 4 | 2 | 2 | 32 | 226.339 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 4.96 | -44.13 | 3 | 2 | 1 | 31 | 225.331 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 6.12 | -36.9 | 3 | 2 | 1 | 30 | 225.331 | 5 | ↓ |