| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 19 | No |
Popular Name: (5S)-5-ethyl-5-[(2S)-2-methylbutyl]-2-phenyl-1H-1,2,4-triazol-4-ium-3-thiolate (5S)-5-ethyl-5-[(2S)-2-methylbut…
| 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) | 4.67 | 8.9 | -11.21 | 2 | 3 | 0 | 27 | 277.437 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.67 | 9.33 | -51.16 | 3 | 3 | 1 | 32 | 278.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
