In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 17 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(2…
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) | 1.94 | 2.75 | -50.16 | 3 | 3 | 1 | 40 | 320.276 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 2.69 | -3.4 | 2 | 3 | 0 | 38 | 319.268 | 3 | ↓ |