| 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) | -0.05 | 3.55 | -43.34 | 2 | 4 | 1 | 46 | 193.274 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 2.24 | -5.15 | 1 | 4 | 0 | 41 | 192.266 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 4 | -85.86 | 3 | 4 | 2 | 47 | 194.282 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
