UCSF

ZINC55108002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.28 8.01 -48.01 0 5 -1 62 332.42 5
Mid Mid (pH 6-8) 3.28 9.87 -26.67 1 5 0 63 333.428 5

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

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