In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (3S,4S)-3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]tetrahydropyran-4-amine (3S,4S)-3-[(2R,5R)-5-ethyl-2-met…
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) | 0.38 | 1.09 | -46.99 | 3 | 4 | 1 | 49 | 229.344 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.38 | 0.39 | -2.61 | 2 | 4 | 0 | 48 | 228.336 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | 1.9 | -119.15 | 4 | 4 | 2 | 51 | 230.352 | 2 | ↓ |