| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | Yes |
Popular Name: N-[(6R)-1-[(2-cyanophenyl)methyl]-4-methyl-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide N-[(6R)-1-[(2-cyanophenyl)methyl…
| 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) | 2.07 | 7.52 | -43.08 | 3 | 7 | 1 | 89 | 389.483 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.38 | -13.79 | 2 | 7 | 0 | 88 | 388.475 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5017573; US5166341 | IBM Patent Data |
