| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 18 | Yes |
Popular Name: 4-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]benzonitrile 4-[[[(1R)-1-(4-methylthiazol-2-y…
| 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) | 2.09 | 5.75 | -8.93 | 1 | 3 | 0 | 49 | 257.362 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | 6.94 | -52.13 | 2 | 3 | 1 | 53 | 258.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
