| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 24 | No |
Popular Name: N-(3-ethynylphenyl)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetamide N-(3-ethynylphenyl)-2-(4-oxo-2-t…
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| 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) | 1.58 | 8.95 | -20.72 | 2 | 5 | 0 | 67 | 335.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 8.64 | -52.1 | 1 | 5 | -1 | 64 | 334.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
