| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | Yes |
Popular Name: (2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile (2R)-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) | 4.47 | 7.42 | -9 | 1 | 3 | 0 | 49 | 317.483 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.47 | 8.61 | -44.55 | 2 | 3 | 1 | 53 | 318.491 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
