| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 15 | 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) | 2.47 | 4.27 | -43.03 | 3 | 2 | 1 | 29 | 246.161 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 2.91 | -3.29 | 2 | 2 | 0 | 24 | 245.153 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.19 | -38.95 | 3 | 2 | 1 | 29 | 246.161 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 5.54 | -126.44 | 4 | 2 | 2 | 33 | 247.169 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
