| 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-2-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) | 0.71 | 5.4 | -96.86 | 4 | 5 | 2 | 53 | 239.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.71 | 4.2 | -26.53 | 3 | 5 | 1 | 48 | 238.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 7.35 | -88.97 | 4 | 5 | 2 | 53 | 239.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 4.99 | -40.32 | 3 | 5 | 1 | 52 | 238.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 7.76 | -173.23 | 5 | 5 | 3 | 54 | 240.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
