| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(4-methylpiperazi…
| 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) | 1.22 | 5.83 | -95.63 | 4 | 5 | 2 | 53 | 253.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 4.6 | -26.53 | 3 | 5 | 1 | 48 | 252.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 7.78 | -87.78 | 4 | 5 | 2 | 53 | 253.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 5.42 | -38.51 | 3 | 5 | 1 | 52 | 252.386 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 8.19 | -172.56 | 5 | 5 | 3 | 54 | 254.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
