| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 25 | 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) | 2.43 | 6.82 | -49.31 | 2 | 5 | 1 | 50 | 346.495 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 4.58 | -11.31 | 1 | 5 | 0 | 49 | 345.487 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 9.1 | -132.01 | 3 | 5 | 2 | 51 | 347.503 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4260762; US4349678; US4442291 | IBM Patent Data |
