| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | Yes |
Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(2-thienyl)methyl]prop-2-en-1-amine N-[(S)-(1-methylimidazol-2-yl)-(…
| 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) | 1.98 | 7.14 | -26.77 | 2 | 3 | 1 | 31 | 234.348 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 5.49 | -8.32 | 1 | 3 | 0 | 30 | 233.34 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 7.3 | -98.74 | 3 | 3 | 2 | 36 | 235.356 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
