In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 17 | Yes |
Popular Name: 5-bromo-1-[(2S,4R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone 5-bromo-1-[(2S,4R,5S)-4-hydroxy-…
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) | -1.07 | -4.57 | -10.39 | 3 | 7 | 0 | 105 | 307.1 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.61 | -7.28 | -47.07 | 2 | 7 | -1 | 108 | 306.092 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0045944A1; EP0048022A2; EP0068763A2; EP0068763B2; EP0097373A2; EP0097373B1; EP0175286A2; EP0175286B1; EP0215942A1; EP0215942B1; EP0216860A1; EP0216860B1; EP0238672A1; EP0251534A1; EP0251534B1; EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP028689 | IBM Patent Data |
PUBCHEM_PATENT_ID | EP0083286A2; EP0083286B2; EP0102228A2; EP0118107A2; EP0118107B1; EP0133473A2; EP0133473B1; EP0196185A2; EP0198328A2; EP0198328B1; EP0199451A2; EP0216564A2; EP0236145A1; EP0236145B2; EP0239405A2; EP0256092B1; EP0276287A1; EP0276287B1; EP0291633A1; EP029163 | IBM Patent Data |