| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 14 | Yes |
Popular Name: (3R)-3-(4H-1,2,4-triazol-3-ylmethylamino)pyrrolidine-2,5-dione (3R)-3-(4H-1,2,4-triazol-3-ylmet…
| 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) | -2.40 | -1.88 | -13.49 | 3 | 7 | 0 | 100 | 195.182 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.40 | -1.9 | -11.85 | 3 | 7 | 0 | 100 | 195.182 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.40 | -1.92 | -16.19 | 3 | 7 | 0 | 100 | 195.182 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.40 | -2.05 | -43.02 | 2 | 7 | -1 | 98 | 194.174 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.40 | -2.04 | -40.75 | 2 | 7 | -1 | 98 | 194.174 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | -4.46 | -39.51 | 2 | 7 | -1 | 106 | 194.174 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | -4.46 | -46.15 | 2 | 7 | -1 | 106 | 194.174 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.21 | -3.2 | -45.03 | 3 | 7 | 0 | 111 | 195.182 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.21 | -3.18 | -44.79 | 3 | 7 | 0 | 111 | 195.182 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.21 | -3.2 | -50.45 | 3 | 7 | 0 | 111 | 195.182 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
