| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | Yes |
Popular Name: 4-[(1R)-1-(4H-1,2,4-triazol-3-ylmethylamino)ethyl]benzonitrile 4-[(1R)-1-(4H-1,2,4-triazol-3-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) | 0.77 | 6.2 | -40.58 | 2 | 5 | 0 | 80 | 227.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.77 | 5.25 | -10.91 | 2 | 5 | 0 | 77 | 227.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.77 | 6.34 | -57.8 | 3 | 5 | 1 | 82 | 228.279 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
