| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 14 | Yes |
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) | 0.38 | 0.61 | -9.68 | 4 | 5 | 0 | 88 | 190.206 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 1.38 | -49.27 | 3 | 5 | -1 | 91 | 189.198 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 1.3 | -54.91 | 3 | 5 | -1 | 91 | 189.198 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.38 | 0.96 | -32.82 | 5 | 5 | 1 | 89 | 191.214 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.38 | 0.8 | -28.74 | 5 | 5 | 1 | 89 | 191.214 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
