| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 3-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]benzonitrile 3-[(4H-1,2,4-triazol-3-ylmethyla…
| 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) | 0.18 | 4.34 | -10.37 | 2 | 5 | 0 | 77 | 213.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 4.36 | -11.53 | 2 | 5 | 0 | 77 | 213.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 5.7 | -59.38 | 3 | 5 | 1 | 82 | 214.252 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 5.56 | -43.19 | 2 | 5 | 0 | 80 | 213.244 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
