| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 13 | Yes |
Popular Name: 1-(1H-imidazol-5-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(1H-imidazol-5-yl)-N-(4H-1,2,4…
None
| 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) | -1.32 | 2.72 | -40.91 | 3 | 6 | 0 | 85 | 178.199 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.32 | 1.5 | -11.11 | 3 | 6 | 0 | 82 | 178.199 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.32 | 1.52 | -11.87 | 3 | 6 | 0 | 82 | 178.199 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.32 | 2.87 | -45.83 | 4 | 6 | 1 | 87 | 179.207 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.32 | 2.91 | -38.74 | 4 | 6 | 1 | 87 | 179.207 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.32 | 2.89 | -45.52 | 4 | 6 | 1 | 87 | 179.207 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.32 | 2.85 | -54.88 | 4 | 6 | 1 | 87 | 179.207 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
