| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | No |
Popular Name: 4-[4-(diethylamino)phenyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[4-(diethylamino)phenyl]-5-iso…
| 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) | 2.72 | 10.8 | -10.48 | 1 | 4 | 0 | 37 | 290.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 10.79 | -50.29 | 0 | 4 | -1 | 34 | 289.428 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 10.88 | -31.8 | 2 | 4 | 0 | 38 | 291.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
