In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-pyridyl)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]butan-2-amine (1S,2R)-1-(4-pyridyl)-1-[(6S)-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) | 1.40 | 4.4 | -45.39 | 3 | 4 | 1 | 53 | 278.42 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 4.86 | -105.6 | 4 | 4 | 2 | 54 | 279.428 | 4 | ↓ |