| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 18 | Yes |
Popular Name: (3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(4,5-dimethyl-1,2,4-tria…
| 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) | -0.28 | 7.93 | -53.56 | 1 | 6 | 0 | 75 | 252.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 6.1 | -52.91 | 0 | 6 | -1 | 74 | 251.31 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
