| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(benzotriazol-1-yl)-3-…
| 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) | 1.44 | 5.83 | -60.56 | 3 | 4 | 1 | 58 | 318.198 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 5.53 | -9.75 | 2 | 4 | 0 | 57 | 317.19 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
