UCSF

ZINC52538502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.08 8.95 -35.8 1 5 -1 74 383.424 4
Mid Mid (pH 6-8) 3.16 11.15 -10.86 2 5 0 67 384.432 5

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

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