| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-isobutyl-N2-methyl-N2-[(2S)-2-methylbutyl]butane-1,2-diamine (2S)-N1-isobutyl-N2-methyl-N2-[(…
| 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) | 3.39 | 8.84 | -112.73 | 3 | 2 | 2 | 21 | 230.44 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.62 | -29.76 | 2 | 2 | 1 | 16 | 229.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 7.37 | -33.98 | 2 | 2 | 1 | 20 | 229.432 | 9 | ↓ |
