| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2009 | 20 | Yes |
| 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) | 3.00 | 10.62 | -123.75 | 3 | 2 | 2 | 21 | 274.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 9.38 | -35.23 | 2 | 2 | 1 | 16 | 273.444 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000035882A1 | IBM Patent Data |
