| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | No |
Popular Name: (3S)-1-propyl-3-(4H-1,2,4-triazol-3-ylmethylamino)pyrrolidine-2,5-dione (3S)-1-propyl-3-(4H-1,2,4-triazo…
| 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) | -1.27 | 3.43 | -50.02 | 3 | 7 | 1 | 96 | 238.271 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | 2.15 | -14.69 | 2 | 7 | 0 | 91 | 237.263 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.27 | 3.28 | -43.31 | 2 | 7 | 0 | 94 | 237.263 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
