| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 18 | Yes |
Popular Name: 1-[2-[(4-isopropylpiperazin-1-yl)methyl]-3-furyl]-N-methyl-methanamine 1-[2-[(4-isopropylpiperazin-1-yl…
| 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 | 5.17 | -86.22 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 2.75 | -39.19 | 2 | 4 | 1 | 36 | 252.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 5.03 | -106.01 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
