| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2006 | 15 | Yes |
Popular Name: BETA-CARYOPHYLLENE BETA-CARYOPHYLLENE
| 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) | 5.17 | 3.16 | -0.23 | 0 | 0 | 0 | 0 | 204.357 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 116 / 10 | TCI |
| UniProt Database Links | AMO_ARTAN; CARS_ARTAN; CS_HELAN; GCOA_STRGG; HUMS_ARATH; PENA_STREX; TPS1_MATRE; TPS2_MATRE; TPS6_PHYDL; ZSS1_ZINZE | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102380-1-O | Ileum (cluster #1 Of 3), Other | Other | 1490 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102380 | Z102380 | Ileum | 1490 | 0.54 | Functional ≤ 10μM |
