| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 21 | Yes |
Popular Name: 3-[[(1S)-1-methyl-2-morpholino-ethyl]amino]-2H-isoquinolin-1-one 3-[[(1S)-1-methyl-2-morpholino-e…
| 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) | 1.90 | 3.92 | -9.82 | 2 | 5 | 0 | 57 | 287.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 6.23 | -50.65 | 3 | 5 | 1 | 59 | 288.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
