UCSF

ZINC52875865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.06 6.77 -41.63 2 6 1 57 367.901 6
Hi High (pH 8-9.5) 2.06 4.54 -13.26 1 6 0 56 366.893 6
Lo Low (pH 4.5-6) 2.06 8.9 -102.52 3 6 2 58 368.909 6

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

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