| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 18 | Yes |
Popular Name: 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine 5-(4-methylpiperazin-1-yl)isoqui…
Find On: PubMed — Wikipedia — Google
CAS Number: 1155134-93-2
| 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) | 1.43 | 6.38 | -78.85 | 4 | 4 | 2 | 48 | 244.342 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.57 | -5.4 | 2 | 4 | 0 | 45 | 242.326 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.03 | -32.18 | 3 | 4 | 1 | 47 | 243.334 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.91 | -39.13 | 3 | 4 | 1 | 47 | 243.334 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
