| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 28 | 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) | 2.54 | 8.2 | -40.65 | 2 | 5 | 1 | 46 | 392.539 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 7.5 | -43.88 | 2 | 5 | 1 | 46 | 392.539 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 9.87 | -114.06 | 3 | 5 | 2 | 47 | 393.547 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
