| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 33 | No |
Popular Name: Moronic acid Moronic acid
Find On: PubMed — Wikipedia — Google
CAS Number: [6713-27-5]
| 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) | 6.54 | 14.62 | -53.36 | 0 | 3 | -1 | 57 | 453.687 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 6.54 | 12.68 | -7.8 | 1 | 3 | 0 | 54 | 454.695 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0878193A1; WO1997027849A1 | IBM Patent Data |
| Patent Database Links | WO2007121352 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-8-O | Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other | Other | 220 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 220 | 0.28 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.