| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 23 | Yes |
Popular Name: 4-(4-isopropylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine 4-(4-isopropylphenyl)-6-(4-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) | 3.34 | 10.94 | -43.54 | 3 | 5 | 1 | 59 | 312.441 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 8.57 | -7.28 | 2 | 5 | 0 | 58 | 311.433 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 11.32 | -94.6 | 4 | 5 | 2 | 61 | 313.449 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 11.33 | -84.31 | 4 | 5 | 2 | 61 | 313.449 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
