| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 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) | 0.42 | 3.51 | -30.55 | 2 | 4 | 1 | 52 | 187.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 3.49 | -34.22 | 2 | 4 | 1 | 52 | 187.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 3.33 | -10.48 | 1 | 4 | 0 | 51 | 186.218 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 3.91 | -87.09 | 3 | 4 | 2 | 53 | 188.234 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
