| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 21 | Yes |
| 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) | 2.31 | 3.26 | -48.29 | 4 | 4 | 1 | 66 | 286.351 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 2.09 | -8.35 | 3 | 4 | 0 | 62 | 285.343 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 4OMT_COPJA; CNMT_THLFG | ChEBI |
| UniProt Database Links | 6OMT_COPJA; CNMT_THLFG | ChEBI |
| PUBCHEM_PATENT_ID | EP0154035A2; EP0355575A2; EP0355575B1; EP0872903A1; EP0931544A2; US4657861; US4757124; US4758639; US5196164; US5298220; US6096144; US6123943 | IBM Patent Data |
