In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-(3,3-dimethylmorpholin-4-yl)cycloheptanamine (1S,2S)-2-(3,3-dimethylmorpholin…
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) | 1.77 | 2.26 | -1.61 | 2 | 3 | 0 | 38 | 226.364 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 4.01 | -116.41 | 4 | 3 | 2 | 41 | 228.38 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 3.97 | -28.01 | 3 | 3 | 1 | 40 | 227.372 | 1 | ↓ |