| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 24 | Yes |
Popular Name: 8-chloro-1-(methoxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 8-chloro-1-(methoxymethyl)-6-phe…
| 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) | 2.26 | 8.21 | -11.6 | 0 | 5 | 0 | 52 | 338.798 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 9.03 | -35.4 | 1 | 5 | 1 | 54 | 339.806 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4427590; US4902794 | IBM Patent Data |
