| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | No |
Popular Name: (3R)-N-[2-[(3S)-3-ethoxy-1-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(3S)-3-ethoxy-1-piper…
| 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) | 0.40 | 2.01 | -49.74 | 2 | 5 | 1 | 60 | 291.437 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | -0.23 | -11.47 | 1 | 5 | 0 | 59 | 290.429 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 0.94 | -61.63 | 2 | 5 | 1 | 63 | 291.437 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 3.16 | -147.23 | 3 | 5 | 2 | 64 | 292.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
