| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | Yes |
Popular Name: 6-[[(3S,4S)-4-methoxypyrrolidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(3S,4S)-4-methoxypyrrolidin-…
| 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) | -1.63 | -3.32 | -48.8 | 5 | 8 | 1 | 116 | 228.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | -6.44 | -37.74 | 3 | 8 | -1 | 115 | 226.216 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -4.98 | -58.14 | 4 | 8 | 0 | 120 | 227.224 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
