| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 32 | 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) | 3.51 | -3.38 | -21.01 | 4 | 7 | 0 | 108 | 477.652 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | -2.82 | -74 | 3 | 7 | -1 | 110 | 476.644 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0790974A1; EP0839525A1; EP0866859A1; EP0883398A1; EP0887348A1; EP0904260A1; EP0907632A1; EP0912487A1; EP0912496A1; EP0912535A1; EP0914116A1; EP0914116B1; EP0923529A1; EP0923530A1; EP0927558A1; EP0928291A1; EP0937036A1; EP0942746A1; EP0946166A1; EP096320 | IBM Patent Data |
