| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 21 | Yes |
Popular Name: (2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-2-(ethylamino)propanoic (2S)-3-(1,3-benzothiazol-2-ylsul…
| 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) | 1.45 | 8.22 | -32.73 | 2 | 4 | 0 | 70 | 322.455 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 7.73 | -52.37 | 1 | 4 | -1 | 65 | 321.447 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
