| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 18 | Yes |
Popular Name: (2S)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-2-(methylamino)butanenitrile (2S)-4-(1,3-benzoxazol-2-ylsulfa…
| 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) | 2.73 | 2.45 | -11.99 | 1 | 4 | 0 | 62 | 261.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 3.74 | -55.8 | 2 | 4 | 1 | 66 | 262.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
