In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-1-(2-bromo-4-methyl-phenoxy)-1-(4-methoxyphenyl)propan-2-amine (1R,2S)-1-(2-bromo-4-methyl-phen…
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) | 4.02 | 6.94 | -51.15 | 3 | 3 | 1 | 46 | 351.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 6.58 | -5.45 | 2 | 3 | 0 | 44 | 350.256 | 5 | ↓ |