In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 28th, 2006 | 18 | No |
Popular Name: 2-(2-chloroethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine 2-(2-chloroethyl)-7-methyl-5,6,7…
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CAS Number: 878217-85-7
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) | 3.45 | 7.26 | -6.83 | 2 | 3 | 0 | 52 | 281.812 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 4.02 | -27.41 | 3 | 3 | 1 | 53 | 282.82 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 7.56 | -26.22 | 3 | 3 | 1 | 53 | 282.82 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |