| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | Yes |
Popular Name: Thionin acetate Thionin acetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 581-64-6 , 78338-22-4
"Thionin acetate, 85% [high purity biological stain]"
3,7-diamino-5$l^{4},10-phenothiazin-5-ylium acetate
3,7-diamino-5$l^{4},10-phenothiazin-5-ylium chloride
3,7-Diamino-5-phenothiazinium acetate
3,7-diaminophenothiazin-5-ium chloride
Cyanine; Katalysin; Lauth's Violet; Lauthsches violett; Thionin
Thionin acetate, pure, high purity biological stain
| 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) | -1.01 | -4.47 | -23.59 | 4 | 3 | 1 | 65 | 228.3 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | CRAM_CRAAB; DEF1_HORVU; DEF1_MAIZE; DEF1_NICPA; DEF1_VIGUN; DEF1_WHEAT; DEF2_MAIZE; DEF2_VIGUN; DEF2_WHEAT; DEF_GYMCO; DEF_NELNU; DEF_PETIN; DEF_TOBAC; DFSD2_HELAN; THN1_VISAL; THN1_WHEAT; THN21_ARATH; THN22_ARATH; THN23_ARATH; THN24_ARATH; THN2_VISAL; TH | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100272-1-O | Internal Ribosome Entry Site (IRES) (cluster #1 Of 1), Other | Other | 2860 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100272 | Z100272 | Internal Ribosome Entry Site (IRES) | 2860 | 0.49 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.