| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 16 | No |
Popular Name: (3R)-3-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S)-2-imidazol-1-yl-1-…
| 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) | -1.34 | 1.81 | -45.1 | 3 | 6 | 1 | 77 | 223.256 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -0.16 | -50.38 | 2 | 6 | 0 | 87 | 222.248 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | 1.31 | -12.57 | 2 | 6 | 0 | 76 | 222.248 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | 1.3 | -13.54 | 2 | 6 | 0 | 76 | 222.248 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | 0.35 | -89.32 | 3 | 6 | 1 | 88 | 223.256 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | 0.4 | -84.55 | 3 | 6 | 1 | 88 | 223.256 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | -0.13 | -54.2 | 2 | 6 | 0 | 87 | 222.248 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
