| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-(5-bromo-2-chloro-phenyl)ethanamine (1S)-2-(1,3-benzoxazol-2-yl)-1-(…
| 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) | 2.68 | 5.25 | -41.82 | 3 | 3 | 1 | 54 | 352.639 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 4.73 | -7.64 | 2 | 3 | 0 | 52 | 351.631 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
