| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (4-ethyl-5-tetrahydropyran-4-ylsulfanyl-1,2,4-triazol-3-yl)methanamine (4-ethyl-5-tetrahydropyran-4-yls…
| 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) | 0.42 | 3.87 | -51.9 | 3 | 5 | 1 | 68 | 243.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 3.43 | -8.7 | 2 | 5 | 0 | 66 | 242.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
