UCSF

ZINC71789990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 23 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) 4.60 9.8 -6.26 1 6 0 84 318.373 5
Hi High (pH 8-9.5) 4.23 9.9 -47.99 0 6 -1 90 317.365 5

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

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