| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 10 | 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) | -0.57 | 2.1 | -13.08 | 0 | 3 | 0 | 37 | 143.186 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 4.32 | -43.18 | 1 | 3 | 1 | 39 | 144.194 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0332326A2; EP0332326B1; US4983662; WO2000024837A1 | IBM Patent Data |
