| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | No |
Popular Name: (3S)-1-ethyl-3-(4H-1,2,4-triazol-3-ylmethylamino)pyrrolidine-2,5-dione (3S)-1-ethyl-3-(4H-1,2,4-triazol…
None
| 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) | -1.78 | 1.39 | -13.09 | 2 | 7 | 0 | 91 | 223.236 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 2.67 | -49.98 | 3 | 7 | 1 | 96 | 224.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 2.65 | -55.53 | 3 | 7 | 1 | 96 | 224.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 1.37 | -12.05 | 2 | 7 | 0 | 91 | 223.236 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 2.64 | -59.23 | 3 | 7 | 1 | 96 | 224.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 2.66 | -50.1 | 3 | 7 | 1 | 96 | 224.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 1.37 | -12.93 | 2 | 7 | 0 | 91 | 223.236 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 1.39 | -14.81 | 2 | 7 | 0 | 91 | 223.236 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.78 | 2.52 | -43.36 | 2 | 7 | 0 | 94 | 223.236 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.78 | 2.51 | -44.22 | 2 | 7 | 0 | 94 | 223.236 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
