| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 14 | Yes |
Popular Name: (5S)-1-[(1R,2R)-1,2-dimethylbutyl]-5-methyl-1,4-diazepane (5S)-1-[(1R,2R)-1,2-dimethylbuty…
| 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) | 2.54 | 5.38 | -34.05 | 2 | 2 | 1 | 20 | 199.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 5.46 | -29.46 | 2 | 2 | 1 | 16 | 199.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.16 | -0.25 | 1 | 2 | 0 | 15 | 198.354 | 3 | ↓ |
