| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N,1-dimethyl-piperidin-4-amine 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) | 1.74 | 6.41 | -81.7 | 3 | 4 | 2 | 37 | 312.527 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 5.04 | -35.75 | 2 | 4 | 1 | 33 | 311.519 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 8.94 | -168.86 | 4 | 4 | 3 | 38 | 313.535 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
