| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 26 | 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) | -0.40 | 8.29 | -97.41 | 2 | 6 | 0 | 82 | 365.311 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 6.72 | -62.03 | 1 | 6 | -1 | 87 | 364.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 6.28 | -53.59 | 3 | 6 | 1 | 79 | 366.319 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996001262A1 | IBM Patent Data |
