In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 16 | Yes |
Popular Name: (2R)-1-(ethylamino)-3-[methyl(4-pyridylmethyl)amino]propan-2-ol (2R)-1-(ethylamino)-3-[methyl(4-…
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 | 0.65 | -41.81 | 3 | 4 | 1 | 53 | 224.328 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.38 | -0.77 | -5.87 | 2 | 4 | 0 | 48 | 223.32 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.38 | 1.62 | -43.24 | 3 | 4 | 1 | 50 | 224.328 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.38 | 3.58 | -47.92 | 3 | 4 | 1 | 57 | 224.328 | 7 | ↓ |