| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 20 | Yes |
Popular Name: (2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoic (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) | 0.43 | 5.04 | -37.09 | 2 | 5 | 0 | 83 | 292.36 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 3.47 | -47.54 | 1 | 5 | -1 | 78 | 291.352 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
