| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | No |
Popular Name: 4-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1S)-2-imidazol-1-yl-1-methyl…
| 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) | 1.38 | 8.71 | -40.81 | 0 | 5 | -1 | 49 | 250.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 9.22 | -49.55 | 1 | 5 | 0 | 50 | 251.359 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 9.86 | -45.36 | 2 | 5 | 1 | 53 | 252.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
