| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[4-[[ethyl(isobutyl)amino]methyl]thiazol-2-yl]methyl]cyclopropanamine N-[[4-[[ethyl(isobutyl)amino]met…
| 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) | 2.06 | 8.13 | -86.26 | 3 | 3 | 2 | 34 | 269.458 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 6.38 | -35.4 | 2 | 3 | 1 | 33 | 268.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 6.55 | -31.34 | 2 | 3 | 1 | 29 | 268.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 5.07 | -2.8 | 1 | 3 | 0 | 28 | 267.442 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
