| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: N-ethyl-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]cyclohexanamine N-ethyl-N-[[2-[(isopropylamino)m…
| 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) | 3.16 | 8.4 | -86.78 | 3 | 3 | 2 | 34 | 297.512 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.17 | -30.5 | 2 | 3 | 1 | 29 | 296.504 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 4.99 | -3.09 | 1 | 3 | 0 | 28 | 295.496 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
