In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2013 | 17 | Yes |
Popular Name: 2-AMINO-3-METHYL-3H-IMIDAZO[4,5-F]QUINOLINE 2-AMINO-3-METHYL-3H-IMIDAZO[4,5-…
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CAS Number: 76180-96-6
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) | -2.49 | 5.68 | -39.25 | 2 | 4 | 1 | 45 | 227.291 | 1 | ↓ |
Lo Low (pH 4.5-6) | -2.49 | 6.03 | -207.29 | 4 | 4 | 3 | 48 | 229.307 | 1 | ↓ |
Lo Low (pH 4.5-6) | -2.49 | 5.72 | -88.48 | 3 | 4 | 2 | 46 | 228.299 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.