| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 28 | Yes |
Popular Name: N-[(6R)-1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide N-[(6R)-1-[(4-fluorophenyl)methy…
| 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) | 2.53 | 7 | -47.28 | 3 | 6 | 1 | 65 | 382.463 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.05 | -11.56 | 2 | 6 | 0 | 64 | 381.455 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 7.05 | -47.94 | 3 | 6 | 1 | 65 | 382.463 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5017573; US5166341 | IBM Patent Data |
