| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[(1S)-1,3-dimethylbutyl]-N-methyl-1-(p-tolyl)ethane-1,2-diamine (1S)-N-[(1S)-1,3-dimethylbutyl]-…
| 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) | 3.16 | 7.47 | -125.44 | 4 | 2 | 2 | 32 | 250.43 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 8.12 | -27.61 | 3 | 2 | 1 | 30 | 249.422 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 5.86 | -41.71 | 3 | 2 | 1 | 31 | 249.422 | 6 | ↓ |
