| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 14 | Yes |
Popular Name: [(3S)-3-methylpiperazin-1-yl]-[(2R)-tetrahydrofuran-2-yl]methanone [(3S)-3-methylpiperazin-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) | 0.01 | 3.14 | -50.53 | 2 | 4 | 1 | 46 | 199.274 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 1.9 | -11.4 | 1 | 4 | 0 | 42 | 198.266 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
