| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 17 | No |
Popular Name: 5-isopropyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1R)-1-(2-thienyl…
| 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) | 2.95 | 9.48 | -10.07 | 1 | 3 | 0 | 34 | 267.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 9.46 | -42.07 | 0 | 3 | -1 | 31 | 266.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
