| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 22 | Yes |
Popular Name: (2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydro-1,4-benzoxathiine-2-carboxamide (2S)-N-[2-(4-methylpiperazin-1-y…
| 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) | 1.26 | 5.85 | -43.8 | 2 | 5 | 1 | 46 | 322.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 3.48 | -11.48 | 1 | 5 | 0 | 45 | 321.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
