| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: N,N-dimethyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine N,N-dimethyl-N'-[2-(4-pyrimidin-…
| 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) | 0.11 | 4.32 | -44.75 | 2 | 6 | 1 | 52 | 279.412 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 2.94 | -6.28 | 1 | 6 | 0 | 48 | 278.404 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 5.43 | -38.23 | 2 | 6 | 1 | 49 | 279.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 6.79 | -117.21 | 3 | 6 | 2 | 53 | 280.42 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 7.65 | -90.36 | 3 | 6 | 2 | 50 | 280.42 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
