| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 12 | Yes |
Popular Name: 2-Methyl-2-adamantanol 2-Methyl-2-adamantanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 702-98-7 , 702-98-7; 14648-57-8 , [702-98-7]
| 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) | 2.90 | -1.49 | -1.99 | 1 | 1 | 0 | 20 | 166.264 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 213 | TCI |
| mp | 214 | MolMall (formerly Molecular Diversity Preservation International) |
| Mp [°C] | 214 - 218 | Acros Organics |
| Melting_Point | 215-217? | Alfa-Aesar |
| Melting_Point | 215-217° | Alfa-Aesar |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821-2-O | H2N2 Subtype (cluster #2 Of 3), Other | Other | 3000 | 0.64 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821 | Z101821 | H2N2 Subtype | 3000 | 0.64 | Functional ≤ 10μM |
