| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: [5-(4-isobutylpiperazin-1-yl)-2-isopropyl-pyrimidin-4-yl]methanamine [5-(4-isobutylpiperazin-1-yl)-2-…
| 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) | 1.84 | 6.73 | -106.88 | 4 | 5 | 2 | 61 | 293.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 4.82 | -44.19 | 3 | 5 | 1 | 60 | 292.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.33 | -41.58 | 3 | 5 | 1 | 59 | 292.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 4.41 | -2.88 | 2 | 5 | 0 | 58 | 291.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
