UCSF

ZINC22686619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 No

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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) 2.20 7.92 -18.51 2 7 0 72 438.553 7
Lo Low (pH 4.5-6) 2.20 9.87 -54.79 3 7 1 73 439.561 7

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

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