| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 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) | 2.14 | 3.71 | -36.05 | 3 | 2 | 1 | 29 | 191.298 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 2.5 | -2.05 | 2 | 2 | 0 | 24 | 190.29 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 3.8 | -36.03 | 3 | 2 | 1 | 29 | 191.298 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
