| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 14 | Yes |
Popular Name: [5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(2-chlorophenyl)-4H-1,2,4-tri…
| 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) | 1.43 | 2.98 | -41.81 | 3 | 4 | 0 | 68 | 208.652 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 2.59 | -43.82 | 2 | 4 | -1 | 66 | 207.644 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 3.15 | -52.95 | 4 | 4 | 1 | 69 | 209.66 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
