| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(2S,3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-2-piperidyl]methanamine [(2S,3R)-1-[(5-chlorothiadiazol-…
| 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) | 1.31 | 1.77 | -50.04 | 3 | 4 | 1 | 57 | 261.802 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 3.54 | -115.81 | 4 | 4 | 2 | 58 | 262.81 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
