| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 9 | Yes |
Popular Name: 1H-Imidazole, 1-(cyclopropylmethyl)- (9CI) 1H-Imidazole, 1-(cyclopropylmeth…
Find On: PubMed — Wikipedia — Google
CAS Number: 717908-74-2
| 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) | 0.86 | 6.31 | -6.01 | 0 | 2 | 0 | 18 | 122.171 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 6.82 | -30.09 | 1 | 2 | 1 | 19 | 123.179 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1993007128A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CPXA-1-B | Cytochrome P450-cam (cluster #1 Of 1), Bacterial | Bacteria | 4000 | 0.84 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CPXA_PSEPU | P00183 | Cytochrome P450-cam, Psepu | 4000 | 0.84 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.