| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 22 | No |
Popular Name: 7-methoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline 7-methoxy-2-[(4-nitrophenyl)meth…
| 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) | 3.12 | 10.42 | -58.01 | 1 | 5 | 1 | 59 | 299.35 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 8.14 | -9.96 | 0 | 5 | 0 | 58 | 298.342 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999062882A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
