| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 18 | Yes |
Popular Name: {[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}(methyl)amine {[1-(4-methoxyphenyl)-2,5-dimeth…
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CAS Number: 1243787-28-1
| 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) | 2.18 | 7.68 | -37.45 | 2 | 3 | 1 | 31 | 245.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 6.24 | -4.95 | 1 | 3 | 0 | 26 | 244.338 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
