In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 12 | Yes |
Popular Name: 2,3-dihydro-1h-pyrido[3,4-b][1,4]oxazine-8-carbonitrile 2,3-dihydro-1h-pyrido[3,4-b][1,4…
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CAS Numbers: 1228666-02-1 , [1228666-02-1]
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) | 0.31 | 1.2 | -6.08 | 1 | 4 | 0 | 58 | 161.164 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 1.67 | -37.6 | 2 | 4 | 1 | 59 | 162.172 | 0 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.