| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 18 | Yes |
Popular Name: (5R)-5-methyl-1-[2-(3-methylphenoxy)ethyl]-1,4-diazepane (5R)-5-methyl-1-[2-(3-methylphen…
| 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) | 2.70 | 5.49 | -35.68 | 2 | 3 | 1 | 29 | 249.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.29 | -4.22 | 1 | 3 | 0 | 24 | 248.37 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 7.58 | -110.98 | 3 | 3 | 2 | 30 | 250.386 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 6.39 | -32.79 | 2 | 3 | 1 | 26 | 249.378 | 4 | ↓ |
