| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | Yes |
Popular Name: 1-(dimethylamino)isoquinoline-3-carboxylic acid 1-(dimethylamino)isoquinoline-3-…
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CAS Number: 1152913-05-7
| 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) | 2.31 | 7.7 | -30.41 | 1 | 4 | 0 | 58 | 216.24 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 7.32 | -59.25 | 0 | 4 | -1 | 56 | 215.232 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
