| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 25 | No |
Popular Name: Usnic acid Usnic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 125-46-2 , 39012-86-7 , 6159-66-6 , 7562-61-0 , N/A , [125-46-2] , [34769-44-3] , [7562-61-0]
(-)-Usnic acid; (S)-Usnate; (S)-Usnic acid; 6159-66-6; C10101
(-)-Usnic acid; (S)-Usnic acid; (S)-usnate
(S)-usnate; CPD-7411; usnein; usniacin; usnic acid; usninsaeure; usno
2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione
2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Mid Mid (pH 6-8) | 1.59 | 5.79 | -89.07 | 1 | 7 | -2 | 127 | 342.303 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 4.25 | -18.97 | 2 | 7 | 0 | 118 | 344.319 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 200 | TCI |
| Melting_Point | 201-203? | Alfa-Aesar |
| Melting_Point | 201-203° | Alfa-Aesar |
| therap | antibacterial | MicroSource Spectrum |
| Therapy | antibiotic | SMDC MicroSource |
| Patent Database Links | US2007258996 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80901-1-O | HaCaT (Keratinocytes) (cluster #1 Of 2), Other | Other | 2100 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80901 | Z80901 | HaCaT (Keratinocytes) | 2100 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.