| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 18 | No |
Popular Name: (5S)-2-(4-chlorophenyl)-5-ethyl-5-propyl-1H-1,2,4-triazol-4-ium-3-thiolate (5S)-2-(4-chlorophenyl)-5-ethyl-…
| 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) | 4.89 | 8.39 | -10.33 | 2 | 3 | 0 | 27 | 283.828 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.89 | 8.73 | -52.87 | 3 | 3 | 1 | 32 | 284.836 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
