| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: 3-[4-[(1S)-1-aminoethyl]-2-bromo-phenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one 3-[4-[(1S)-1-aminoethyl]-2-bromo…
| 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) | 0.53 | 5.1 | -55.88 | 4 | 5 | 1 | 78 | 344.258 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.76 | -9.4 | 3 | 5 | 0 | 77 | 343.25 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
