| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 29 | 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) | -4.48 | -6.65 | -383.49 | 4 | 17 | -4 | 282 | 479.124 | 8 | ↓ |
| Mid Mid (pH 6-8) | -4.48 | -7.8 | -244.86 | 5 | 17 | -3 | 279 | 480.132 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.12e+01 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0071859A2; EP0123511A2; EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP0286898B1; EP0302175A2; EP0496412B1; EP0524143A1; EP0524143B1; EP0553821A1; EP0553821B1; EP0618228A1; EP0698610A1; EP0698610B1; EP0870841A1; EP0897301A1; EP0978569A1; EP100534 | IBM Patent Data |
