| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 22 | No |
Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]propanamide 3-[(3S)-1,1-dioxothiolan-3-yl]-N…
| 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) | -0.90 | 2.07 | -57.36 | 2 | 7 | 1 | 88 | 332.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | -0.28 | -19.56 | 1 | 7 | 0 | 87 | 331.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
