In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 15 | Yes |
Popular Name: 1H-Imidazol-2-amine, 4-(4-ethoxyphenyl)- (9CI) 1H-Imidazol-2-amine, 4-(4-ethoxy…
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CAS Number: 76507-16-9
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) | 1.84 | 5.96 | -33.43 | 4 | 4 | 1 | 65 | 204.253 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 5.4 | -10.95 | 3 | 4 | 0 | 64 | 203.245 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5358960; WO2000062626A1 | IBM Patent Data |