| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: N-[[4-[[isobutyl(methyl)amino]methyl]thiazol-2-yl]methyl]cyclopropanamine N-[[4-[[isobutyl(methyl)amino]me…
| 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 | 7.43 | -87.67 | 3 | 3 | 2 | 34 | 255.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.36 | -35.32 | 2 | 3 | 1 | 33 | 254.423 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 6.13 | -32.47 | 2 | 3 | 1 | 29 | 254.423 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.06 | -3.08 | 1 | 3 | 0 | 28 | 253.415 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
