| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 38 | Yes |
Popular Name: CN(C)Cc1ccc(cc1)N/C(=C\2/c3cc(ccc3NC2=O)C(=O)N(C)c4ccccc4)/c5ccccc5 CN(C)Cc1ccc(cc1)N/C(=C\2/c3cc(cc…
| 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) | 5.59 | 14.63 | -45.07 | 3 | 6 | 1 | 70 | 503.626 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.59 | 12.15 | -14.8 | 2 | 6 | 0 | 68 | 502.618 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000073297A1 | IBM Patent Data |
