| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: 1-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-amine 1-butyl-N-[(3S)-1,1-dioxothiolan…
| 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) | 1.48 | 3.48 | -48.11 | 2 | 4 | 1 | 51 | 275.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 4.53 | -130.04 | 3 | 4 | 2 | 55 | 276.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 2.3 | -57.8 | 2 | 4 | 1 | 54 | 275.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
