| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 21 | Yes |
Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N,4-dimethyl-cyclohexanamine N-[[2-[(isobutylamino)methyl]thi…
| 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) | 3.00 | 9.49 | -92.49 | 3 | 3 | 2 | 34 | 311.539 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 5.63 | -2.72 | 1 | 3 | 0 | 28 | 309.523 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 8.12 | -32.26 | 2 | 3 | 1 | 29 | 310.531 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
