UCSF

ZINC71789767

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 26 Yes

CAS Numbers: 551-11-1 , [551-11-1]

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Annotations

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Vendors

Physical Representations

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) 4.46 9.94 -48.91 2 4 -1 81 365.534 13
Lo Low (pH 4.5-6) 4.46 7.97 -8.66 3 4 0 78 366.542 13

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Analogs ( Draw Identity 99% 90% 80% 70% )

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