| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 17 | Yes |
Popular Name: (3S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dioxo-2H-1,2,4-triaz…
| 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) | -0.99 | 1.59 | -45.9 | 3 | 8 | 0 | 123 | 240.219 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | -0.56 | -91.87 | 1 | 8 | -2 | 125 | 238.203 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.99 | 1.1 | -43.6 | 2 | 8 | -1 | 122 | 239.211 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
