| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2009 | 39 | No |
Popular Name: (2S)-2-[(hexahydroxy-methyl-dioxo-BLAHcarbonyl)amino]propanoic (2S)-2-[(hexahydroxy-methyl-diox…
| 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) | -0.15 | -1.67 | -58.33 | 7 | 12 | -1 | 225 | 534.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | -0.92 | -102.1 | 6 | 12 | -2 | 228 | 533.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
