| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-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) | 1.69 | 7.46 | -88.1 | 3 | 3 | 2 | 34 | 255.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.96 | -38.37 | 2 | 3 | 1 | 33 | 254.423 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 3.73 | -4.13 | 1 | 3 | 0 | 28 | 253.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 6.23 | -29.49 | 2 | 3 | 1 | 29 | 254.423 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
