UCSF

ZINC09970295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 29 No

CAS Numbers: 96-82-2 , [96-82-2]

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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) -3.35 -15.28 -64.01 8 12 -1 220 427.423 8

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