| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 1-(2-methoxyphenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2-methoxyphenyl)-N-(4H-1,2,4-…
| 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) | 0.46 | 3.31 | -7.64 | 2 | 5 | 0 | 63 | 218.26 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 4.52 | -32.55 | 2 | 5 | 0 | 66 | 218.26 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.32 | -9.66 | 2 | 5 | 0 | 63 | 218.26 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 4.55 | -32.89 | 2 | 5 | 0 | 66 | 218.26 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 4.68 | -45.03 | 3 | 5 | 1 | 67 | 219.268 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
