| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2006 | 16 | No |
| 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) | 1.81 | 0.93 | -7.03 | 2 | 5 | 0 | 75 | 224.26 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | -0.83 | -36.71 | 1 | 5 | -1 | 82 | 223.252 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | -0.83 | -36.34 | 1 | 5 | -1 | 82 | 223.252 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.296 | Bitter DB |
| PUBCHEM_PATENT_ID | EP0216247A2; US3950423; US3978127; US3988454; US4020096; US4046894; US4071570; US4249005; US4339454; US4673680 | IBM Patent Data |
