| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | No |
| 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) | 2.87 | 4.98 | -30.72 | 5 | 8 | 0 | 121 | 464.613 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 6.1 | -61.49 | 4 | 8 | -1 | 122 | 463.605 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 4.93 | -53.86 | 4 | 8 | -1 | 122 | 463.605 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 6.14 | -120.01 | 3 | 8 | -2 | 124 | 462.597 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 6.28 | -123.96 | 3 | 8 | -2 | 126 | 462.597 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 5.04 | -60.83 | 4 | 8 | -1 | 124 | 463.605 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 4.89 | -25.47 | 5 | 8 | 0 | 120 | 464.613 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
