| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: 3-[4-[(1S)-1-aminoethyl]-2-bromo-phenyl]sulfanyl-4-methyl-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) | 0.16 | 4.15 | -58.43 | 4 | 5 | 1 | 78 | 330.231 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.84 | -8.61 | 3 | 5 | 0 | 77 | 329.223 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
