| 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-1-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) | 1.25 | 5.51 | -92.33 | 3 | 4 | 2 | 37 | 253.39 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 5.6 | -107.3 | 3 | 4 | 2 | 37 | 253.39 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 3.15 | -36.08 | 2 | 4 | 1 | 36 | 252.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
