In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | Yes |
Popular Name: 1-(2,5-dibromo-3-thienyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone 1-(2,5-dibromo-3-thienyl)-2-[(2S…
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) | 3.52 | 5.89 | -5.54 | 0 | 3 | 0 | 30 | 397.132 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | 7.76 | -39.63 | 1 | 3 | 1 | 31 | 398.14 | 3 | ↓ |