UCSF

ZINC41586296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.13 8 -58.07 2 6 1 81 366.821 5
Hi High (pH 8-9.5) 3.13 8.57 -39.31 1 6 0 84 365.813 5
Hi High (pH 8-9.5) 3.13 5.74 -13.54 1 6 0 80 365.813 5

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

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