In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 30 | No |
Popular Name: ROSIGLITAZONE-5-SULFOXY ROSIGLITAZONE-5-SULFOXY
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CAS Number: 288853-63-4
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) | -0.37 | 3.33 | -52.75 | 1 | 10 | -1 | 138 | 452.49 | 9 | ↓ |
Lo Low (pH 4.5-6) | -0.37 | 3.61 | -49.18 | 2 | 10 | 0 | 139 | 453.498 | 9 | ↓ |