| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 27 | Yes |
Popular Name: 1-[3-[[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]methyl]-2,4,6-trimethyl-phenyl]ethanone 1-[3-[[4-(2,6-diaminopyrimidin-4…
| 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) | 2.19 | 9.66 | -50.38 | 5 | 7 | 1 | 103 | 369.493 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.84 | -33.98 | 5 | 7 | 1 | 103 | 369.493 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.48 | -11.45 | 4 | 7 | 0 | 101 | 368.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 10.05 | -105.74 | 6 | 7 | 2 | 104 | 370.501 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
