| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | No |
Popular Name: (3R)-1,1-dioxo-N-[2-[(3R)-3-propoxy-1-piperidyl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-[(3R)-3-prop…
| 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 | 2.8 | -49.95 | 2 | 5 | 1 | 60 | 305.464 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 0.57 | -11.51 | 1 | 5 | 0 | 59 | 304.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 1.74 | -61.7 | 2 | 5 | 1 | 63 | 305.464 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 3.96 | -147.59 | 3 | 5 | 2 | 64 | 306.472 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
