| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-propyl-cyclopropanamine 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) | 2.57 | 8.25 | -87.95 | 3 | 3 | 2 | 34 | 283.485 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 4.98 | -3.35 | 1 | 3 | 0 | 28 | 281.469 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 7.02 | -30.45 | 2 | 3 | 1 | 29 | 282.477 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
