UCSF

ZINC60118094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 32 No

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Annotations

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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) 4.96 10.64 -9.34 1 4 0 50 437.624 4
Lo Low (pH 4.5-6) 4.96 11.4 -22.61 2 4 0 51 438.632 4

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

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