| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | No |
Popular Name: 2-[(2S)-3-(cyclopropylamino)-2-hydroxy-propyl]-4H-isoquinoline-1,3-dione 2-[(2S)-3-(cyclopropylamino)-2-h…
| 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) | -0.28 | 4.62 | -37.4 | 3 | 5 | 1 | 74 | 275.328 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 3.28 | -8.96 | 2 | 5 | 0 | 70 | 274.32 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[3-(cyclopropylamino)propyl]-4H-isoquinoline-1,3-quinone](http://zinc12.docking.org/img/rings/124271.gif)