| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: (3S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethyl-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) | -0.66 | 2.21 | -44.3 | 3 | 8 | 0 | 123 | 254.246 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | -0.08 | -91.53 | 1 | 8 | -2 | 125 | 252.23 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 1.59 | -42.69 | 2 | 8 | -1 | 122 | 253.238 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 0.6 | -56.83 | 2 | 8 | -1 | 126 | 253.238 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
