| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 14 | Yes |
Popular Name: (2R,5S)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-piperidine (2R,5S)-5-(3,5-dimethyl-1,2,4-tr…
| 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) | 0.14 | 5.83 | -37.64 | 2 | 4 | 1 | 47 | 195.29 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.14 | 6.26 | -87.83 | 3 | 4 | 2 | 49 | 196.298 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
