In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]cycloheptanamine (1S,2R)-2-[(2R,5S)-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) | 2.19 | 3.09 | -1.57 | 2 | 3 | 0 | 38 | 240.391 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 4.91 | -110.97 | 4 | 3 | 2 | 41 | 242.407 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 5.22 | -31.04 | 3 | 3 | 1 | 40 | 241.399 | 2 | ↓ |