| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: 5-Chloroindole-2-carboxylic acid 5-Chloroindole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10517-21-2 , 15486-96-1 , [10517-21-2]
5-chloro-1H-indole-2-carboxyli
5-Chloro-1H-indole-2-carboxylic acid
5-Chloroindole-2-carboxylic acid, 98%
| 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) | 2.63 | 5.51 | -42.76 | 1 | 3 | -1 | 56 | 194.597 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 287 - 289 | Enamine Building Blocks |
| MP | 287...289 | Enamine Building Blocks |
| Melting_Point | 287? dec. | Alfa-Aesar |
| Melting_Point | 287° dec. | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Therapy | NMDA receptor antagonist (gly) | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9-1-V | Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral | Viruses | 300 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 300 | 0.70 | Binding ≤ 1μM |
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 300 | 0.70 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.