UCSF

ZINC71602866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 27 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) -2.09 6.37 -29.58 2 5 1 48 386.541 5
Hi High (pH 8-9.5) 2.13 7.25 -8.7 1 5 0 48 385.533 6
Mid Mid (pH 6-8) -2.09 8.67 -106.28 3 5 2 49 387.549 5

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

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