UCSF

ZINC52857791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.70 9.53 -45.36 2 6 1 63 370.473 9
Hi High (pH 8-9.5) 2.70 7.27 -15.87 1 6 0 62 369.465 9

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

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