| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 19 | Yes |
Popular Name: (2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-(isopropylamino)-2-methyl-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) | 3.13 | 3.57 | -9.35 | 1 | 4 | 0 | 62 | 275.377 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 4.37 | -44.08 | 2 | 4 | 1 | 66 | 276.385 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
