UCSF

ZINC52882448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

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) -0.75 5.37 -55.49 2 5 -1 86 279.341 3
Mid Mid (pH 6-8) -0.75 5.38 -62.33 3 5 0 88 280.349 3

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

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