| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 24 | Yes |
Popular Name: (2S)-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]pentanedioic (2S)-2-[(5-oxo-1-phenyl-4H-1,2,4…
| 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) | -2.76 | 5.5 | -104.77 | 2 | 10 | -2 | 160 | 332.272 | 7 | ↓ |
| Hi High (pH 8-9.5) | -2.30 | 3.65 | -187.76 | 1 | 10 | -3 | 163 | 331.264 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -2.76 | 3.52 | -51.49 | 3 | 10 | -1 | 157 | 333.28 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
