| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 9 | Yes |
Popular Name: n / a n / a
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10191-35-2 , 488-16-4 , 88759-55-1 , N/A
| 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) | -2.36 | -6.31 | -47.44 | 3 | 5 | -1 | 100 | 135.095 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0273202A2; EP0273202B1; EP0329295A1; EP0413528A1; EP0413528B1; EP0508324A3; EP0508324B1; EP0599819A2; EP0599819B1; EP0600934B1; EP0671162A2; EP0671162A3; EP0741561A1; EP0770399A2; EP0814815A1; EP0831767A1; EP0894494A2; EP0936899A1; EP1009398A1; US459577 | IBM Patent Data |
| UniProt Database Links | RPIA_ECOLI | ChEBI |
No pre-computed analogs available. Try a structural similarity search.