In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 18 | No |
Popular Name: 4H-Pyrrolo[3,2-d]isoxazole, 3-(3,5-dimethoxyphenyl)-5,6-dihydro- (9CI) 4H-Pyrrolo[3,2-d]isoxazole, 3-(3…
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CAS Number: 603067-31-8
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) | 2.09 | 2.21 | -11.11 | 1 | 5 | 0 | 57 | 246.266 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 2.17 | -25.88 | 2 | 5 | 1 | 58 | 247.274 | 3 | ↓ |