| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 20 | Yes |
Popular Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)-ethanone 2-(4,6-diaminopyrimidin-2-yl)sul…
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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) | 0.54 | -5.31 | -47.9 | 5 | 7 | 1 | 102 | 297.408 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | -4.91 | -175.19 | 7 | 7 | 3 | 105 | 299.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | -5.08 | -93.5 | 6 | 7 | 2 | 103 | 298.416 | 4 | ↓ |
