| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 25 | No |
Popular Name: N-[2-[(2-hydroxy-5-nitro-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide N-[2-[(2-hydroxy-5-nitro-phenyl)…
| 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) | 2.18 | 5.22 | -16.27 | 2 | 7 | 0 | 98 | 341.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.97 | -38 | 1 | 7 | -1 | 101 | 340.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 8.31 | -36.66 | 2 | 7 | 0 | 102 | 341.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 7.55 | -60.91 | 3 | 7 | 1 | 100 | 342.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
