UCSF

ZINC19521788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 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) 2.77 4.75 -28.8 3 6 1 80 284.343 2
Mid Mid (pH 6-8) 2.28 4.93 -58.08 1 6 -1 82 282.327 3

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

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