| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 23 | Yes |
Popular Name: (1R)-1-(2,4-difluorophenyl)-2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)ethanol (1R)-1-(2,4-difluorophenyl)-2-(1…
None
| 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) | 2.73 | 6.46 | -6.38 | 1 | 3 | 0 | 27 | 318.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 6.59 | -35.97 | 2 | 3 | 1 | 28 | 319.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 8.56 | -39.48 | 2 | 3 | 1 | 28 | 319.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 8.73 | -113.28 | 3 | 3 | 2 | 29 | 320.383 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
