| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 4-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]benzonitrile 4-[(4H-1,2,4-triazol-3-ylmethyla…
None
| 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) | 0.21 | 4.37 | -11.04 | 2 | 5 | 0 | 77 | 213.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 5.71 | -61.72 | 3 | 5 | 1 | 82 | 214.252 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 5.73 | -51.94 | 3 | 5 | 1 | 82 | 214.252 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
