| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | Yes |
Popular Name: 4-[4-[(3-vinylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine 4-[4-[(3-vinylphenyl)methyl]pipe…
| 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) | 2.16 | 7.82 | -7.02 | 2 | 5 | 0 | 58 | 295.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 10.53 | -89.76 | 4 | 5 | 2 | 61 | 297.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 10.4 | -97.92 | 4 | 5 | 2 | 61 | 297.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 8.18 | -29.01 | 3 | 5 | 1 | 60 | 296.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 10.04 | -44.11 | 3 | 5 | 1 | 59 | 296.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 8.32 | -31.61 | 3 | 5 | 1 | 60 | 296.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
