UCSF

ZINC00747222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 2.37 4.38 -20.57 2 9 0 92 482.581 9
Mid Mid (pH 6-8) 2.37 6.73 -58.84 3 9 1 94 483.589 9

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

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