| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 14 | No |
Popular Name: 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-amine 4-[(5-ethyl-1H-1,2,4-triazol-3-y…
| 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) | 0.90 | 2.48 | -10.48 | 3 | 5 | 0 | 80 | 209.278 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 2.94 | -33.86 | 4 | 5 | 1 | 82 | 210.286 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 2.92 | -28.89 | 4 | 5 | 1 | 82 | 210.286 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
