| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 23 | 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) | 3.93 | 5.47 | -42.92 | 1 | 3 | -1 | 60 | 317.449 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 4.95 | -9.09 | 2 | 3 | 0 | 58 | 318.457 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 5.42 | -9.21 | 1 | 3 | 0 | 54 | 318.457 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0583579A2; EP0583579B1; EP0583606A2; EP0583606A3; US5444055; US5538960 | IBM Patent Data |
