| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: (3S)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(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) | -1.82 | 3.9 | -44.1 | 2 | 8 | -1 | 122 | 287.255 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 2.2 | -114.93 | 1 | 8 | -2 | 125 | 286.247 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
