| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: (3S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-propyl-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) | -0.10 | 2.99 | -44.27 | 3 | 8 | 0 | 123 | 268.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 0.69 | -92.1 | 1 | 8 | -2 | 125 | 266.257 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 1.38 | -56.83 | 2 | 8 | -1 | 126 | 267.265 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 2.35 | -42.96 | 2 | 8 | -1 | 122 | 267.265 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
