| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 17 | Yes |
Popular Name: N-[[(2S,5S)-5-[(4-methylpiperazin-1-yl)methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-[(4-methylpiperazi…
| 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) | 0.41 | 4.54 | -83.93 | 3 | 4 | 2 | 34 | 243.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 2.16 | -35.71 | 2 | 4 | 1 | 32 | 242.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 4.1 | -89.33 | 3 | 4 | 2 | 34 | 243.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
