| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 19 | No |
Popular Name: (3S)-3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-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) | -0.43 | 5.9 | -54.3 | 2 | 6 | 1 | 72 | 265.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 5.2 | -11.63 | 1 | 6 | 0 | 67 | 264.329 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 5.71 | -37.53 | 2 | 6 | 1 | 68 | 265.337 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 6.41 | -115.65 | 3 | 6 | 2 | 73 | 266.345 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
