UCSF

ZINC41542039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 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) 3.34 11.8 -73.37 1 7 0 83 464.562 10
Lo Low (pH 4.5-6) 3.34 11.04 -54.35 2 7 1 81 465.57 10

Activity (Go SEA)

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