| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 14 | Yes |
| 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) | -0.07 | 1.23 | -114.47 | 5 | 4 | 2 | 64 | 199.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | -2.64 | -7.49 | 3 | 4 | 0 | 58 | 197.282 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | -0.96 | -41.82 | 4 | 4 | 1 | 63 | 198.29 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | -0.45 | -36.64 | 4 | 4 | 1 | 60 | 198.29 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
