| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 24 | Yes |
Popular Name: (1S)-1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanol (1S)-1-(1-methyl-6-phenyl-4H-imi…
| 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) | 1.84 | 6.78 | -10.34 | 1 | 4 | 0 | 50 | 317.392 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.35 | -32.63 | 2 | 4 | 1 | 52 | 318.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.7 | -32.62 | 2 | 4 | 1 | 52 | 318.4 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 8.06 | -84.26 | 3 | 4 | 2 | 53 | 319.408 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4280957; US4307237; US4347364; US4347365; US4349475; US4349476; US4349477; US4371468; US4376074; US4376075; US4377523; US4390471; US4401597; US4425272; US4440685 | IBM Patent Data |
