In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 16 | Yes |
Popular Name: (1S,2R)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]cycloheptanamine (1S,2R)-2-[(2S,5R)-2,5-dimethylm…
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) | 1.65 | 2.59 | -1.96 | 2 | 3 | 0 | 38 | 226.364 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 4.63 | -31.06 | 3 | 3 | 1 | 40 | 227.372 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 4.13 | -119.62 | 4 | 3 | 2 | 41 | 228.38 | 1 | ↓ |