UCSF

ZINC22727164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 No

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Annotations

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) 4.59 6.32 -6.82 1 3 0 42 293.725 4
Lo Low (pH 4.5-6) 4.59 6.75 -6.61 2 3 0 43 294.733 4

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

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