| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 21 | Yes |
Popular Name: 6-Methyl-ergoline-8-carboxylic acid methyl ester 6-Methyl-ergoline-8-carboxylic a…
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CAS Number: 35470-53-2
| 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) | 2.43 | 8.74 | -48.56 | 2 | 4 | 1 | 47 | 285.367 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 6.41 | -9.87 | 1 | 4 | 0 | 45 | 284.359 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0190534A1; US4968801 | IBM Patent Data |
