| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: N-[(1R)-1-[3-bromo-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-[(5-methyl-…
| 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) | 3.66 | 8.35 | -48.51 | 3 | 4 | 1 | 58 | 356.313 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 8.15 | -68.69 | 2 | 4 | 0 | 56 | 355.305 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
