| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | No |
Popular Name: 4-[[[(3R)-2,5-dioxopyrrolidin-3-yl]-methyl-amino]methyl]benzoic 4-[[[(3R)-2,5-dioxopyrrolidin-3-…
| 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) | 0.20 | 2.1 | -54.31 | 1 | 6 | -1 | 90 | 261.257 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | -0.44 | -91.92 | 0 | 6 | -2 | 96 | 260.249 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 4.66 | -88.19 | 2 | 6 | 0 | 91 | 262.265 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.38 | 2.11 | -83.27 | 1 | 6 | -1 | 97 | 261.257 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
