| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-(4-methylpiperazin-1-yl)-1…
| 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) | 0.92 | 5.64 | -99.86 | 4 | 5 | 2 | 53 | 239.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 5.22 | -42.81 | 3 | 5 | 1 | 52 | 238.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 7.58 | -91.59 | 4 | 5 | 2 | 53 | 239.367 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 7.99 | -175.89 | 5 | 5 | 3 | 54 | 240.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
