| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 33 | No |
None
None
| 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) | 3.04 | 7.06 | -104.56 | 4 | 7 | 0 | 83 | 453.583 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 4.68 | -10.94 | 2 | 7 | 0 | 80 | 451.567 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.52 | -32.36 | 2 | 7 | 0 | 84 | 451.567 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 5.25 | -47.62 | 1 | 7 | -1 | 83 | 450.559 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 7.12 | -122.66 | 4 | 7 | 0 | 83 | 453.583 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 4.79 | -52.06 | 3 | 7 | 0 | 82 | 452.575 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 7.63 | -80.58 | 3 | 7 | 0 | 86 | 452.575 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 6.94 | -44.31 | 3 | 7 | 1 | 82 | 452.575 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
