| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | Yes |
Popular Name: [(2R,5S)-5-[(4-methylpiperazin-1-yl)methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[(4-methylpiperazin-1…
| 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) | -0.60 | 1.8 | -89.49 | 4 | 4 | 2 | 45 | 215.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | -0.58 | -41 | 3 | 4 | 1 | 43 | 214.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 1.36 | -94.05 | 4 | 4 | 2 | 45 | 215.341 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
