In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 18 | Yes |
Popular Name: 2-[4-bromo-2-[[[(2S)-2-hydroxypropyl]amino]methyl]phenoxy]acetamide 2-[4-bromo-2-[[[(2S)-2-hydroxypr…
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) | 0.75 | 0.98 | -45.07 | 5 | 5 | 1 | 89 | 318.191 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.75 | -0.48 | -15.48 | 4 | 5 | 0 | 85 | 317.183 | 7 | ↓ |