UCSF

ZINC38741609

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 29 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) 2.49 11.22 -40.13 2 6 1 68 391.495 5
Hi High (pH 8-9.5) 2.56 10.15 -56.56 1 6 0 75 390.487 5

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

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