UCSF

ZINC98023197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2014 23 No

CAS Number: 35943-35-2

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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) -1.93 -2.82 -16.25 5 9 0 130 320.353 2
Mid Mid (pH 6-8) -1.93 -2.42 -34.38 6 9 1 132 321.361 2

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

No pre-computed analogs available. Try a structural similarity search.