UCSF

ZINC40113671

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 4.30 9.83 -14.24 0 5 0 46 399.56 4
Lo Low (pH 4.5-6) 4.30 10.8 -26.82 1 5 1 47 400.568 4

Activity (Go SEA)

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