| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | Yes |
Popular Name: (1R,2S,4R)-2-(isoindolin-2-ylmethyl)-4-methyl-cyclohexanol (1R,2S,4R)-2-(isoindolin-2-ylmet…
| 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) | 2.47 | 7.38 | -35.18 | 2 | 2 | 1 | 25 | 246.374 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 5.17 | -3.83 | 1 | 2 | 0 | 23 | 245.366 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
