| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 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) | 1.19 | 6.09 | -51.72 | 3 | 2 | 1 | 41 | 227.331 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 5.87 | -6.04 | 2 | 2 | 0 | 39 | 226.323 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 6.52 | -95.34 | 4 | 2 | 2 | 42 | 228.339 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
