| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 30 | Yes |
Popular Name: [5-chloro-2-[2-[(2S)-4-(4-fluorobenzyl)-2-methyl-piperazino]-2-keto-ethoxy]phenyl]urea [5-chloro-2-[2-[(2S)-4-(4-fluoro…
| 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) | 2.87 | 5.74 | -16.76 | 3 | 7 | 0 | 88 | 434.899 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 7.97 | -65.21 | 4 | 7 | 1 | 89 | 435.907 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0988292A2; WO1998056771A2 | IBM Patent Data |
