| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 17 | Yes |
Popular Name: (2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]propanoic (2S)-2-[[3-hydroxy-5-(hydroxymet…
| 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) | -2.21 | -1.37 | -50.19 | 4 | 6 | 0 | 110 | 240.259 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.21 | -0.73 | -62.02 | 3 | 6 | -1 | 113 | 239.251 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | -0.4 | -54.39 | 4 | 6 | 0 | 114 | 240.259 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | -1.03 | -82.83 | 5 | 6 | 1 | 111 | 241.267 | 5 | ↓ |
