| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 26 | Yes |
Popular Name: 2-[4-[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]piperazin-1-yl]ethanol 2-[4-[5-amino-6-(N-ethyl-3-methy…
| 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) | 1.85 | 5.72 | -29.07 | 4 | 7 | 1 | 83 | 357.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 5.27 | -7.95 | 3 | 7 | 0 | 82 | 356.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 7.57 | -38.38 | 4 | 7 | 1 | 83 | 357.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 5.73 | -30.87 | 4 | 7 | 1 | 83 | 357.482 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 8.02 | -82.23 | 5 | 7 | 2 | 84 | 358.49 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
