| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | 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) | 1.72 | 4.29 | -35.16 | 3 | 3 | 1 | 37 | 235.351 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 3.81 | -66.51 | 2 | 3 | 0 | 43 | 234.343 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 3.02 | -45.18 | 3 | 3 | 1 | 40 | 235.351 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
