| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2009 | 21 | Yes |
Popular Name: 3-{[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 3-{[4-(2-hydroxyethyl)piperazin-…
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CAS Number: 349102-92-7
| 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) | 0.16 | 2.62 | -51.56 | 1 | 6 | -1 | 84 | 293.343 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 2.68 | -42.2 | 3 | 6 | 1 | 82 | 295.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 0.4 | -9.16 | 2 | 6 | 0 | 81 | 294.351 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 192 - 194 | Enamine Building Blocks |
| MP | 192...194 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
