| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 24 | No |
Popular Name: (S)-N-((3-(3-FLUORO-4-(PIPERAZIN-1-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)ACETAMIDE (S)-N-((3-(3-FLUORO-4-(PIPERAZIN…
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CAS Number: 154590-66-6
| 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) | 0.38 | 4.04 | -59.2 | 3 | 7 | 1 | 78 | 337.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 2.73 | -19.1 | 2 | 7 | 0 | 74 | 336.367 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5547950; WO1993023384A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.