| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 33 | Yes |
Popular Name: 3-[6-hexyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]propanoic 3-[6-hexyl-7-hydroxy-3-(1-methyl…
| 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) | 6.12 | 12.39 | -57.56 | 1 | 7 | -1 | 108 | 447.511 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.92 | 12.4 | -100.66 | 0 | 7 | -2 | 111 | 446.503 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.12 | 12.06 | -40.5 | 2 | 7 | 0 | 110 | 448.519 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.92 | 10.72 | -41.91 | 2 | 7 | 0 | 110 | 448.519 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.92 | 12.7 | -63.83 | 1 | 7 | -1 | 112 | 447.511 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.12 | 10.99 | -30.4 | 3 | 7 | 1 | 107 | 449.527 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
