UCSF

ZINC56660774

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 28 Yes

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) 3.15 7.56 -12.11 3 6 0 73 386.471 7
Lo Low (pH 4.5-6) 3.15 7.62 -37.62 4 6 1 75 387.479 7

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

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