| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 20 | Yes |
Popular Name: 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(5-methoxy-2,3-dihydro-1,4-ben…
| 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) | -0.05 | 4.36 | -49.34 | 3 | 7 | 1 | 86 | 277.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 4.18 | -42.44 | 2 | 7 | 0 | 84 | 276.296 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 3 | -13.96 | 2 | 7 | 0 | 81 | 276.296 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
