UCSF

ZINC71789569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 23 No

CAS Numbers: 96036-03-2 , [96036-03-2]

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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) -0.47 0.46 -47.72 3 6 1 77 342.485 4
Mid Mid (pH 6-8) -0.47 -0.76 -17.01 2 6 0 73 341.477 4

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

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