In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 14 | Yes |
Popular Name: (4-(3-CHLOROPHENYL)-1H-IMIDAZOL-2-YL)METHANAMINE (4-(3-CHLOROPHENYL)-1H-IMIDAZOL-…
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CAS Number: 944897-81-8
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) | 1.54 | 3.34 | -49.61 | 4 | 3 | 1 | 56 | 208.672 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 2.95 | -6.71 | 3 | 3 | 0 | 55 | 207.664 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 2.92 | -7.08 | 3 | 3 | 0 | 55 | 207.664 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.