| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-isobutyl-N1-(2-methoxyethyl)-1-(p-tolyl)butane-1,2-diamine (1S,2S)-N1-isobutyl-N1-(2-methox…
| 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) | 3.22 | 8.41 | -102.11 | 4 | 3 | 2 | 41 | 294.483 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.08 | -28.47 | 3 | 3 | 1 | 40 | 293.475 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.28 | -35.33 | 3 | 3 | 1 | 40 | 293.475 | 9 | ↓ |
