| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 14 | Yes |
Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(4-methyl-1H-imidazol-5-yl)-N-…
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) | -1.10 | 3.26 | -40.72 | 3 | 6 | 0 | 85 | 192.226 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | 1.9 | -44.3 | 2 | 6 | -1 | 81 | 191.218 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | 3.26 | -34.72 | 3 | 6 | 0 | 85 | 192.226 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | 3.23 | -40.42 | 3 | 6 | 0 | 85 | 192.226 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | 1.89 | -41.06 | 2 | 6 | -1 | 81 | 191.218 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | 2.04 | -11.65 | 3 | 6 | 0 | 82 | 192.226 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.10 | 3.41 | -38.13 | 4 | 6 | 1 | 87 | 193.234 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.10 | 3.39 | -44.99 | 4 | 6 | 1 | 87 | 193.234 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
