| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[4-[[butyl(ethyl)amino]methyl]thiazol-2-yl]methyl]cyclopropanamine N-[[4-[[butyl(ethyl)amino]methyl…
| 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) | 2.38 | 8.21 | -86.79 | 3 | 3 | 2 | 34 | 269.458 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 6.06 | -35.55 | 2 | 3 | 1 | 33 | 268.45 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 6.91 | -31.48 | 2 | 3 | 1 | 29 | 268.45 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 4.76 | -3.2 | 1 | 3 | 0 | 28 | 267.442 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
