| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 10 | Yes |
Popular Name: 6-bromo-1H-indazole 6-bromo-1H-indazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 79762-54-2 , [79762-54-2]
| 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) | 2.41 | -1.73 | -4.74 | 1 | 2 | 0 | 29 | 197.035 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 180 - 182 | KeyOrganics |
| MP | 180-182° | Matrix Scientific |
| MP | 180-185°C | Oakwood Chemical |
| Mp [°C] | 181 - 185 | Acros Organics |
| Melting_Point | 183-186? | Alfa-Aesar |
| Melting_Point | 183-186° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| PUBCHEM_PATENT_ID | WO2000038677A1 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-5-E | Nitric-oxide Synthase, Brain (cluster #5 Of 7), Eukaryotic | Eukaryotes | 4300 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 4300 | 0.75 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 4300 | 0.75 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.