| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 19 | No |
Popular Name: 3-[(5-chloro-2-thioxo-1,3-benzothiazol-3-yl)methyl-ethyl-amino]propanenitrile 3-[(5-chloro-2-thioxo-1,3-benzot…
| 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) | 2.73 | 8.06 | -10.71 | 0 | 3 | 0 | 32 | 311.863 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 10.43 | -48.7 | 1 | 3 | 1 | 33 | 312.871 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
