| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | 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) | 0.87 | 5.69 | -71.87 | 3 | 5 | 2 | 39 | 279.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 3.99 | -6.87 | 1 | 5 | 0 | 36 | 277.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 4.12 | -26.28 | 2 | 5 | 1 | 38 | 278.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 5.56 | -35.17 | 2 | 5 | 1 | 38 | 278.424 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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