| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | No |
Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S,4R)-3-amino-4-methyl-1-pipe…
| 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) | -0.05 | 0.64 | -45.9 | 3 | 5 | 1 | 74 | 227.313 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 0.38 | -4.77 | 2 | 5 | 0 | 72 | 226.305 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
