| 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 | 6.12 | -95.67 | 3 | 5 | 2 | 45 | 282.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 4.22 | -45.06 | 2 | 5 | 1 | 43 | 281.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 4.77 | -36.44 | 2 | 5 | 1 | 40 | 281.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 5.77 | -82.75 | 3 | 5 | 2 | 45 | 282.432 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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