| 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) | -0.19 | 5.02 | -88.44 | 3 | 5 | 2 | 45 | 282.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 2.16 | -7.16 | 1 | 5 | 0 | 39 | 280.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 3.72 | -36.69 | 2 | 5 | 1 | 40 | 281.424 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 6.94 | -180.68 | 4 | 5 | 3 | 46 | 283.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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