| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 14 | 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) | -0.16 | 3.69 | -32.72 | 3 | 4 | 0 | 85 | 193.202 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 3.36 | -42.38 | 2 | 4 | -1 | 83 | 192.194 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5466437; WO1996029986A1; WO1998055503A1 | IBM Patent Data |
