| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 16 | Yes |
Popular Name: [5-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-furyl]methanamine [5-methyl-4-[(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) | 0.22 | 2.92 | -86.84 | 4 | 4 | 2 | 48 | 225.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 0.56 | -44.13 | 3 | 4 | 1 | 47 | 224.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 2.82 | -93.01 | 4 | 4 | 2 | 48 | 225.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
