| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 36 | Yes |
Popular Name: (5R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-[4-(1,3-benzodioxol-5-ylm…
| 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) | 4.58 | 13.86 | -14.28 | 1 | 7 | 0 | 59 | 483.592 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 14.55 | -19.03 | 1 | 7 | 0 | 68 | 482.584 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 16.87 | -71.74 | 2 | 7 | 1 | 69 | 483.592 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 12.37 | -39.19 | 2 | 7 | 1 | 69 | 483.592 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 16.08 | -70.19 | 2 | 7 | 0 | 60 | 484.6 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
