In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 13 | Yes |
Popular Name: 3-(1-Pyridin-3-yl-ethylamino)-propan-1-ol 3-(1-Pyridin-3-yl-ethylamino)-pr…
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CAS Number: 578757-90-1
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) | 0.46 | 1.6 | -42.34 | 3 | 3 | 1 | 50 | 181.259 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 1.89 | -101.71 | 4 | 3 | 2 | 51 | 182.267 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Warnings | IRRITANT | Matrix Scientific |