| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | No |
Popular Name: (3S)-1-(1-ethylpropyl)-3-(4H-1,2,4-triazol-3-ylmethylamino)pyrrolidine-2,5-dione (3S)-1-(1-ethylpropyl)-3-(4H-1,2…
| 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) | -0.41 | 5.37 | -49.05 | 3 | 7 | 1 | 96 | 266.325 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.41 | 4.09 | -13.69 | 2 | 7 | 0 | 91 | 265.317 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.41 | 5.22 | -41.91 | 2 | 7 | 0 | 94 | 265.317 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
