| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | Yes |
Popular Name: N-[[3-[(4-methylpiperazin-1-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[3-[(4-methylpiperazin-1-yl)m…
| 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) | 1.05 | 5.29 | -90.45 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 2.93 | -33.69 | 2 | 4 | 1 | 36 | 252.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 5.38 | -104.75 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
