| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2010 | 23 | Yes |
Popular Name: [6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol [6-(2-fluorophenyl)-4H-[1,2,4]tr…
| 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) | 1.11 | 5.25 | -17.42 | 1 | 5 | 0 | 63 | 308.316 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 6.18 | -38.78 | 2 | 5 | 1 | 65 | 309.324 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4427590 | IBM Patent Data |
