In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 16 | Yes |
Popular Name: 4-(4-Aminobut-1-yl)aminoquinoline 4-(4-Aminobut-1-yl)aminoquinoline
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CAS Number: 128454-90-0
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) | 1.38 | 3.88 | -85.43 | 5 | 3 | 2 | 54 | 217.316 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 3.46 | -53.05 | 4 | 3 | 1 | 53 | 216.308 | 5 | ↓ |