| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 19 | Yes |
Popular Name: [2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-phenyl]methanamine [2-(1,3-benzoxazol-2-ylsulfanyl)…
| 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) | 3.77 | 3.93 | -48.11 | 3 | 3 | 1 | 54 | 291.783 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 3.51 | -9.38 | 2 | 3 | 0 | 52 | 290.775 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
