| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 15 | Yes |
Popular Name: N-methyl-1-[2-(4-methylpiperazin-1-yl)-1H-imidazol-4-yl]methanamine N-methyl-1-[2-(4-methylpiperazin…
| 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) | 0.04 | 4.03 | -97.4 | 4 | 5 | 2 | 53 | 211.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 2.58 | -26.5 | 3 | 5 | 1 | 48 | 210.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 3.6 | -42.9 | 3 | 5 | 1 | 52 | 210.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 5.97 | -90.76 | 4 | 5 | 2 | 53 | 211.313 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 6.38 | -172.33 | 5 | 5 | 3 | 54 | 212.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
