In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2008 | 15 | Yes |
Popular Name: 3-ethyladamantane-1-carboxylic acid 3-ethyladamantane-1-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 37845-05-9 , [37845-05-9]
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) | 2.89 | 8.02 | -51.06 | 0 | 2 | -1 | 40 | 207.293 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 6.04 | -4.45 | 1 | 2 | 0 | 37 | 208.301 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.