| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-2-(ethylamino)propanenitrile (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) | 3.97 | 6.61 | -8.67 | 1 | 3 | 0 | 49 | 303.456 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 7.62 | -41.85 | 2 | 3 | 1 | 53 | 304.464 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
