| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 16 | Yes |
Popular Name: (1S)-N-isobutyl-N-isopropyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1S)-N-isobutyl-N-isopropyl-1-[(…
| 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) | 1.42 | 3.1 | -41.92 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2.88 | -1.39 | 2 | 3 | 0 | 38 | 228.38 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 3.94 | -117.07 | 4 | 3 | 2 | 41 | 230.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.39 | -27.61 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
