UCSF

ZINC61404806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 16 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) -0.06 3.08 -29.03 3 6 1 80 220.256 2
Hi High (pH 8-9.5) -0.06 2.95 -11.17 2 6 0 79 219.248 2

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

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