UCSF

ZINC71778307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2011 17 Yes

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Annotations

Vendors

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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) 2.16 8.78 -50.04 0 4 -1 66 233.243 5
Lo Low (pH 4.5-6) 2.16 6.78 -9.17 1 4 0 64 234.251 5

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

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