| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | No |
Popular Name: 4-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]benzene-1,2-diol 4-[(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) | -0.51 | 0.41 | -47.19 | 5 | 6 | 1 | 99 | 221.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | 0.23 | -41.46 | 4 | 6 | 0 | 97 | 220.232 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
