| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 14 | Yes |
Popular Name: N-methyl-1-[2-(2-thienylmethyl)-1H-imidazol-4-yl]methanamine N-methyl-1-[2-(2-thienylmethyl)-…
| 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 | 4.58 | -38.05 | 3 | 3 | 1 | 45 | 208.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 3.14 | -7.05 | 2 | 3 | 0 | 41 | 207.302 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 5.01 | -103.09 | 4 | 3 | 2 | 47 | 209.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
