| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2008 | 16 | 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) | 1.94 | 6.56 | -41.01 | 1 | 5 | -1 | 88 | 211.204 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.47 | -112.13 | 0 | 5 | -2 | 86 | 210.196 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.61 | -115.39 | 0 | 5 | -2 | 86 | 210.196 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 6.74 | -46.53 | 1 | 5 | -1 | 85 | 211.204 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 8.08 | -23.34 | 2 | 5 | 0 | 82 | 212.212 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
