| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2R)-2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-propanenitrile (2R)-2-amino-3-(1,3-benzothiazol…
| 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) | 3.22 | 5.56 | -12.15 | 2 | 3 | 0 | 63 | 275.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 5.83 | -54.32 | 3 | 3 | 1 | 64 | 276.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
