In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 14 | Yes |
Popular Name: 3-(Isoquinolin-5-yl)propylamine 3-(Isoquinolin-5-yl)propylamine
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CAS Number: 1207448-38-1
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) | 1.50 | 4.44 | -48.44 | 3 | 2 | 1 | 41 | 187.266 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 4.91 | -90.03 | 4 | 2 | 2 | 42 | 188.274 | 3 | ↓ |