| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 13 | No |
Popular Name: 4-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R)-2-cyclopropyl-1-methyl-e…
| 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) | 1.04 | 7.48 | -10.91 | 1 | 3 | 0 | 34 | 197.307 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 7.4 | -45.64 | 0 | 3 | -1 | 31 | 196.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
