| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 16 | No |
Popular Name: 5-isopropyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(2-methylthiazol-…
| 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) | 1.07 | 6.68 | -16.45 | 1 | 4 | 0 | 47 | 254.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 6.77 | -55.71 | 0 | 4 | -1 | 44 | 253.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
