In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 15 | No |
Popular Name: (2S)-2-[(3-hydroxy-3-oxo-propanoyl)amino]butanedioic (2S)-2-[(3-hydroxy-3-oxo-propano…
None
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) | -3.77 | 4.07 | -190.83 | 1 | 8 | -3 | 149 | 216.125 | 6 | ↓ |
Lo Low (pH 4.5-6) | -3.77 | 2.14 | -117.6 | 2 | 8 | -2 | 147 | 217.133 | 6 | ↓ |
Lo Low (pH 4.5-6) | -3.77 | 0.16 | -59.24 | 3 | 8 | -1 | 144 | 218.141 | 6 | ↓ |