UCSF

ZINC69062205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 22 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) 1.78 6.98 -7.18 0 6 0 64 303.362 5
Lo Low (pH 4.5-6) 1.78 9.42 -40.45 1 6 1 66 304.37 5

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

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