In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 30 | Yes |
Popular Name: N-DeshydroxyethylDasatinib N-DeshydroxyethylDasatinib
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CAS Number: 910297-51-7
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) | 3.17 | 8.72 | -115.54 | 5 | 8 | 2 | 101 | 445.98 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 7.04 | -18.69 | 3 | 8 | 0 | 95 | 443.964 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 8.46 | -61.23 | 4 | 8 | 1 | 100 | 444.972 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 9.1 | -98.33 | 5 | 8 | 2 | 101 | 445.98 | 5 | ↓ |