| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 17 | No |
Popular Name: 5-cyclopropyl-4-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[2-[2-methoxyeth…
| 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) | -0.09 | 7.46 | -48.04 | 2 | 5 | 1 | 47 | 257.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 5.18 | -50.22 | 0 | 5 | -1 | 43 | 255.367 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 5.03 | -13.19 | 1 | 5 | 0 | 46 | 256.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 7.61 | -57.39 | 1 | 5 | 0 | 44 | 256.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
