| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 20 | Yes |
Popular Name: (2S)-2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-2-(propylamino)hexan-1-ol (2S)-2-methyl-6-(4-methyl-1,4-di…
| 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) | 2.02 | 4.16 | -81.95 | 4 | 4 | 2 | 45 | 287.492 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 4.76 | -74.34 | 4 | 4 | 2 | 45 | 287.492 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 2.23 | -32.73 | 3 | 4 | 1 | 43 | 286.484 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 6.58 | -167.7 | 5 | 4 | 3 | 46 | 288.5 | 9 | ↓ |
