| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 13 | Yes |
Popular Name: (butan-2-yl)[(1-ethylpyrrolidin-2-yl)methyl]amine (butan-2-yl)[(1-ethylpyrrolidin-…
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CAS Number: 1021048-75-8
| 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) | 2.10 | 4.99 | -31.46 | 2 | 2 | 1 | 20 | 185.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 5.73 | -28.19 | 2 | 2 | 1 | 16 | 185.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.16 | -107.06 | 3 | 2 | 2 | 21 | 186.343 | 5 | ↓ |
| 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.