| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2011 | 31 | No |
Popular Name: [(1S)-1-methylpropyl] [(1S)-1-methylpropyl]
| 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) | 4.59 | 13.8 | -13.5 | 0 | 5 | 0 | 69 | 416.521 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 12.58 | -13.18 | 0 | 5 | 0 | 69 | 416.521 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.77 | 12.74 | -35.72 | 1 | 5 | 1 | 70 | 417.529 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 13.5 | -13.71 | 0 | 5 | 0 | 69 | 416.521 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 12.89 | -39.87 | 1 | 5 | 1 | 70 | 417.529 | 6 | ↓ |
