| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 15 | Yes |
Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(1H-pyrazol-4-yl)methyl]ethanamine 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) | 0.12 | 2.79 | -30.16 | 3 | 5 | 1 | 60 | 206.273 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 2.22 | -11.89 | 2 | 5 | 0 | 59 | 205.265 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 3.4 | -40.63 | 3 | 5 | 1 | 63 | 206.273 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
