| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 18 | No |
Popular Name: 2-[(2S)-2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-dione 2-[(2S)-2-hydroxy-3-(methylamino…
| 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) | -0.64 | 2.99 | -39.27 | 3 | 5 | 1 | 74 | 249.29 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 1.56 | -9.11 | 2 | 5 | 0 | 70 | 248.282 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
