UCSF

ZINC40109739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 3.79 6.95 -65.42 2 8 -1 119 522.961 10
Lo Low (pH 4.5-6) 3.79 6.2 -20.05 3 8 0 117 523.969 10

Activity (Go SEA)

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