| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 16 | Yes |
Popular Name: (6S)-6-methyl-1-(1,1,3,3-tetramethylbutyl)-1,4-diazepane (6S)-6-methyl-1-(1,1,3,3-tetrame…
| 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) | 3.17 | 7.1 | -38.05 | 2 | 2 | 1 | 20 | 227.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 5.74 | -0.33 | 1 | 2 | 0 | 15 | 226.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 5.6 | -25.87 | 2 | 2 | 1 | 16 | 227.416 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 6.94 | -104.1 | 3 | 2 | 2 | 21 | 228.424 | 3 | ↓ |
