| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-[cyclohexyl(ethyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[cyclohexyl(ethyl)amino]-4-pro…
| 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) | 3.03 | 11.18 | -9.63 | 1 | 4 | 0 | 37 | 268.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 11.17 | -46.42 | 0 | 4 | -1 | 34 | 267.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 10.28 | -45.92 | 2 | 4 | 1 | 38 | 269.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
