In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(4-chloro-3-methyl-phenoxy)-1-(4-fluorophenyl)propan-2-amine (1R,2S)-1-(4-chloro-3-methyl-phe…
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) | 4.00 | 7.46 | -51.83 | 3 | 2 | 1 | 37 | 294.777 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.00 | 7.17 | -4.63 | 2 | 2 | 0 | 35 | 293.769 | 4 | ↓ |