| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 21 | No |
Popular Name: 5-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]-1,3-benzodioxole 5-[(2S)-2-isocyanato-2-(p-tolyl)…
| 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) | 3.79 | 6.53 | -7.5 | 0 | 4 | 0 | 48 | 281.311 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 7.61 | -48.64 | 1 | 4 | 1 | 50 | 282.319 | 4 | ↓ |
