| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 21 | No |
Popular Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanato-ethyl]pyridine 3-[(2S)-2-(3,4-dimethoxyphenyl)-…
| 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) | 1.87 | 4.63 | -10.78 | 0 | 5 | 0 | 61 | 284.315 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 5.07 | -41.19 | 1 | 5 | 1 | 62 | 285.323 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 5.71 | -50.66 | 1 | 5 | 1 | 62 | 285.323 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 6.15 | -117.91 | 2 | 5 | 2 | 64 | 286.331 | 6 | ↓ |
