In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 14 | Yes |
Popular Name: (2R)-1-amino-3-[methyl(3-pyridylmethyl)amino]propan-2-ol (2R)-1-amino-3-[methyl(3-pyridyl…
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) | -1.34 | -2.19 | -48.06 | 4 | 4 | 1 | 64 | 196.274 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.34 | -2.66 | -5.82 | 3 | 4 | 0 | 62 | 195.266 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.34 | -0.25 | -39.38 | 4 | 4 | 1 | 64 | 196.274 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 0.76 | -49.08 | 4 | 4 | 1 | 68 | 196.274 | 5 | ↓ |