| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (4R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]chroman-4-amine (4R)-N-[(2-methyl-1H-imidazol-4-…
None
| 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) | 0.63 | 4.65 | -33.92 | 3 | 4 | 1 | 51 | 244.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 4.23 | -9.96 | 2 | 4 | 0 | 50 | 243.31 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 5.43 | -48.86 | 3 | 4 | 1 | 55 | 244.318 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 5.9 | -111.89 | 4 | 4 | 2 | 56 | 245.326 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
