| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 26 | No |
Popular Name: 3-(diethylamino)-1-[4-[3-[(3S)-1,1-dioxothiolan-3-yl]propanoyl]piperazin-1-yl]propan-1-one 3-(diethylamino)-1-[4-[3-[(3S)-1…
| 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) | 0.37 | 6.08 | -56.84 | 1 | 7 | 1 | 79 | 388.554 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 3.94 | -22.8 | 0 | 7 | 0 | 78 | 387.546 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
