| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[[2-(dimethylamino)-2-methyl-propyl]amino]azepan-2-one (3S)-3-[[2-(dimethylamino)-2-met…
| 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) | 0.94 | 4.16 | -40.18 | 3 | 4 | 1 | 46 | 228.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 2.22 | -35.74 | 3 | 4 | 1 | 49 | 228.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 1.68 | -6.32 | 2 | 4 | 0 | 44 | 227.352 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 4.35 | -113.67 | 4 | 4 | 2 | 50 | 229.368 | 4 | ↓ |
