UCSF

ZINC98230403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 30 Yes

CAS Numbers: 107438-79-9 , [107438-79-9]

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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) -2.38 0.05 -22.98 3 10 0 149 424.402 1
Hi High (pH 8-9.5) -2.38 0.26 -25.29 2 10 0 152 423.394 1

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

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