| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 15 | No |
Popular Name: (3S)-1-methyl-3-(4H-1,2,4-triazol-3-ylmethylamino)pyrrolidine-2,5-dione (3S)-1-methyl-3-(4H-1,2,4-triazo…
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) | -2.15 | 0.4 | -13.42 | 2 | 7 | 0 | 91 | 209.209 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 0.4 | -15.06 | 2 | 7 | 0 | 91 | 209.209 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 1.67 | -55.87 | 3 | 7 | 1 | 96 | 210.217 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 0.38 | -12.3 | 2 | 7 | 0 | 91 | 209.209 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 1.66 | -59.64 | 3 | 7 | 1 | 96 | 210.217 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 1.68 | -50.49 | 3 | 7 | 1 | 96 | 210.217 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 0.38 | -13.28 | 2 | 7 | 0 | 91 | 209.209 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.15 | 1.69 | -50.44 | 3 | 7 | 1 | 96 | 210.217 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.15 | 1.53 | -43.93 | 2 | 7 | 0 | 94 | 209.209 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.15 | 1.52 | -44.79 | 2 | 7 | 0 | 94 | 209.209 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
