| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 16 | Yes |
Popular Name: (3R,4S)-N3-butyl-N3-[(1S)-1-methylpropyl]tetrahydropyran-3,4-diamine (3R,4S)-N3-butyl-N3-[(1S)-1-meth…
| 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) | 1.96 | 2.86 | -41.2 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 2.57 | -1.72 | 2 | 3 | 0 | 38 | 228.38 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 4.5 | -28.46 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
