| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2012 | 28 | No |
None
| 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) | 0.95 | 3.8 | -21.01 | 1 | 8 | 0 | 74 | 394.447 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 6.1 | -54.18 | 2 | 8 | 1 | 76 | 395.455 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5547950; WO1993023384A1 | IBM Patent Data |
