| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1R)-1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(1,3-benzoxazol-2-ylsu…
| 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) | 2.59 | 5.01 | -56.59 | 3 | 3 | 1 | 54 | 350.261 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 4.67 | -9.29 | 2 | 3 | 0 | 52 | 349.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
