| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 18 | Yes |
Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-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) | 1.97 | 6.47 | -38.92 | 1 | 5 | 0 | 70 | 289.788 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.91 | -49.34 | 0 | 5 | -1 | 69 | 288.78 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
