| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 13 | Yes |
Popular Name: Isoquinoline-6-carboxylic acid Isoquinoline-6-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106778-43-2 , 877861-62-6 , [106778-43-2]
| 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) | 1.94 | 4.6 | -49.36 | 0 | 3 | -1 | 53 | 172.163 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 5.79 | -8.29 | 2 | 5 | 0 | 68 | 420.431 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
