| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | Yes |
Popular Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(7-bromo-1,3-benzodioxol-5-yl)…
| 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) | 1.08 | 4.61 | -50.1 | 3 | 6 | 1 | 77 | 312.147 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 4.44 | -42.86 | 2 | 6 | 0 | 75 | 311.139 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 3.26 | -11.28 | 2 | 6 | 0 | 72 | 311.139 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
