| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 39 | 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) | 4.83 | 14.59 | -54.4 | 2 | 8 | 1 | 79 | 524.645 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 12.03 | -18.68 | 1 | 8 | 0 | 78 | 523.637 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 15.07 | -93.13 | 3 | 8 | 2 | 80 | 525.653 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.83 | 15.47 | -139.29 | 4 | 8 | 3 | 81 | 526.661 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1998048800A1 | IBM Patent Data |
