| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 11 | 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) | -1.83 | -2.12 | -42.93 | 4 | 4 | 1 | 60 | 158.225 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.83 | -2.42 | -6.41 | 3 | 4 | 0 | 58 | 157.217 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.83 | -0.79 | -100.81 | 5 | 4 | 2 | 65 | 159.233 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5821240 | IBM Patent Data |
