In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[2-(dimethylamino)-2-methyl-propyl]amino]cycloheptanol (1S,2R)-2-[[2-(dimethylamino)-2-…
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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) | 2.20 | 2.21 | -30.83 | 3 | 3 | 1 | 40 | 229.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 3.35 | -27.84 | 3 | 3 | 1 | 37 | 229.388 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 4.51 | -102.87 | 4 | 3 | 2 | 41 | 230.396 | 4 | ↓ |