| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | No |
Popular Name: (3R,4R)-1-(1,1-dioxothian-4-yl)-4-methyl-piperidin-3-amine (3R,4R)-1-(1,1-dioxothian-4-yl)-…
| 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) | -0.13 | -0.15 | -53.35 | 3 | 4 | 1 | 65 | 247.384 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 1.98 | -138.2 | 4 | 4 | 2 | 66 | 248.392 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.13 | 1.6 | -48.69 | 3 | 4 | 1 | 65 | 247.384 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
