| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | Yes |
Popular Name: N-[(6S)-1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide N-[(6S)-1-[(2,5-dimethylphenyl)m…
| 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) | 3.19 | 8.31 | -40.41 | 3 | 6 | 1 | 65 | 392.527 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 6.17 | -10.35 | 2 | 6 | 0 | 64 | 391.519 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 8.03 | -43.95 | 3 | 6 | 1 | 65 | 392.527 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5166341 | IBM Patent Data |
