| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 16 | No |
Popular Name: [(3S)-1,1-dioxothiolan-3-yl]-(4-methylpiperazin-1-yl)methanone [(3S)-1,1-dioxothiolan-3-yl]-(4-…
| 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) | -0.54 | -0.23 | -16.67 | 0 | 5 | 0 | 58 | 246.332 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | 2.12 | -57.47 | 1 | 5 | 1 | 59 | 247.34 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
