| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: [(3S)-1,1-dioxo-3-[(3S)-3-propoxy-1-piperidyl]thian-3-yl]methanamine [(3S)-1,1-dioxo-3-[(3S)-3-propox…
| 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) | 0.26 | 0.56 | -46.83 | 3 | 5 | 1 | 74 | 305.464 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 0.15 | -9.88 | 2 | 5 | 0 | 73 | 304.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.26 | 2.43 | -131.33 | 4 | 5 | 2 | 75 | 306.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
