| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 12 | 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) | 2.85 | 1.24 | -6.16 | 2 | 3 | 0 | 45 | 275.045 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 3.02 | -134.06 | 0 | 3 | -2 | 51 | 273.029 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 2.24 | -46.25 | 1 | 3 | -1 | 48 | 274.037 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6130239; WO2000035906A2; WO2000035908A1; WO2000035909A1 | IBM Patent Data |
