| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 20 | No |
Popular Name: 5-[(2S)-2-isocyanato-2-phenyl-ethyl]-1,3-benzodioxole 5-[(2S)-2-isocyanato-2-phenyl-et…
| 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) | 3.35 | 5.86 | -7.3 | 0 | 4 | 0 | 48 | 267.284 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 6.94 | -48.89 | 1 | 4 | 1 | 50 | 268.292 | 4 | ↓ |
