UCSF

ZINC20257828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

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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) 0.34 -1.39 -31.2 2 4 0 62 178.257 1
Hi High (pH 8-9.5) 0.34 -0.14 -40.11 1 4 -1 61 177.249 1
Hi High (pH 8-9.5) 0.34 -0.81 -9.21 2 4 0 63 178.257 1

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

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