| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 13 | Yes |
Popular Name: (2S)-N'-isobutyl-N'-isopropyl-2-methyl-propane-1,3-diamine (2S)-N'-isobutyl-N'-isopropyl-2-…
| 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) | 1.69 | 5.16 | -98.81 | 4 | 2 | 2 | 32 | 188.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4 | -41.22 | 3 | 2 | 1 | 31 | 187.351 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.79 | -28.58 | 3 | 2 | 1 | 30 | 187.351 | 6 | ↓ |
