| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 17 | Yes |
Popular Name: (2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-2-(methylamino)propanenitrile (2S)-3-(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) | 2.45 | 1.9 | -10.57 | 1 | 4 | 0 | 62 | 247.323 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 3.18 | -47.72 | 2 | 4 | 1 | 66 | 248.331 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
