| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 35 | No |
Popular Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2H-pyrrol-1-yl]hexanoic 6-[(2S)-2-(1,3-benzodioxol-5-yl)…
| 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) | 3.02 | 9.94 | -104.86 | 0 | 11 | -2 | 165 | 480.429 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 8.89 | -75.55 | 1 | 11 | -1 | 162 | 481.437 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 9.89 | -63.61 | 0 | 11 | -1 | 159 | 481.437 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
