| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 18 | Yes |
Popular Name: N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1S)-1-(4-methyl-1,2,4-triazo…
| 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) | 0.26 | 5.55 | -44.1 | 2 | 5 | 1 | 51 | 248.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 4.83 | -11.34 | 1 | 5 | 0 | 46 | 247.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
