| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 21 | No |
Popular Name: 8-isopropyl-3-(4-pyridylmethyl)-6-thioxo-7H-purin-2-one 8-isopropyl-3-(4-pyridylmethyl)-…
| 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) | 1.23 | 4.61 | -46.79 | 1 | 6 | -1 | 82 | 300.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 5.08 | -51.7 | 2 | 6 | 0 | 84 | 301.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 5.54 | -86.78 | 3 | 6 | 1 | 85 | 302.383 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 5.07 | -57.03 | 2 | 6 | 0 | 84 | 301.375 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
