| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 33 | No |
| 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) | 3.11 | 10.45 | -57.11 | 2 | 8 | -1 | 99 | 495.997 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 9.16 | -68.73 | 1 | 8 | -1 | 98 | 495.997 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 11.16 | -32.45 | 2 | 8 | 0 | 95 | 497.005 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 10.54 | -47.55 | 1 | 8 | -1 | 91 | 495.997 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 10.95 | -54.91 | 2 | 8 | 0 | 92 | 497.005 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 12.97 | -43.19 | 3 | 8 | 1 | 89 | 498.013 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 8.57 | -122.29 | 1 | 8 | -2 | 102 | 494.989 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,7-dihydropyrrolo[2,3-d]pyrimidine-2-thione](http://zinc12.docking.org/img/rings/80341.gif)
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