| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: (1S)-1-[3-bromo-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine (1S)-1-[3-bromo-4-[(5-methyl-4H-…
| 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 | 4.97 | -52.5 | 4 | 4 | 1 | 69 | 314.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.64 | -7.17 | 3 | 4 | 0 | 68 | 313.224 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.77 | -73.64 | 3 | 4 | 0 | 68 | 313.224 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.44 | -42.76 | 2 | 4 | -1 | 66 | 312.216 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
