| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 14 | Yes |
Popular Name: [2-(4-methylpiperazin-1-yl)-1H-imidazol-4-yl]methanamine [2-(4-methylpiperazin-1-yl)-1H-i…
| 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) | -0.34 | 2.19 | -102.63 | 5 | 5 | 2 | 64 | 197.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.34 | 1.79 | -26.31 | 4 | 5 | 1 | 62 | 196.278 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.34 | 1.78 | -41.19 | 4 | 5 | 1 | 63 | 196.278 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.34 | 4.53 | -176.82 | 6 | 5 | 3 | 65 | 198.294 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.34 | 4.13 | -87.71 | 5 | 5 | 2 | 64 | 197.286 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
