| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: isoindolin-2-yl-[(2S,5R)-5-methylpiperazin-2-yl]methanone isoindolin-2-yl-[(2S,5R)-5-methy…
| 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) | 0.40 | 2.77 | -40.43 | 3 | 4 | 1 | 49 | 246.334 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.6 | -8.2 | 2 | 4 | 0 | 44 | 245.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
