| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: N-[5-[(cyclopropylamino)methyl]thiazol-2-yl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[5-[(cyclopropylamino)methyl]t…
| 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) | 2.41 | 9.46 | -89.73 | 3 | 4 | 2 | 37 | 298.5 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 5.68 | -3.92 | 1 | 4 | 0 | 31 | 296.484 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 6.99 | -36.03 | 2 | 4 | 1 | 36 | 297.492 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 8.14 | -40.98 | 2 | 4 | 1 | 33 | 297.492 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
