| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 28 | 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) | 3.73 | 3.63 | -95.86 | 1 | 9 | -2 | 146 | 396.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 2.86 | -82.78 | 2 | 9 | -1 | 147 | 397.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 2.29 | -44.5 | 2 | 9 | -1 | 144 | 397.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 3.6 | -56.82 | 2 | 9 | -1 | 144 | 397.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 4.08 | -74.56 | 2 | 9 | -1 | 147 | 397.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.