UCSF

ZINC60239862

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 44 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) 10.29 28.62 -58.29 1 4 -1 69 621.068 37
Lo Low (pH 4.5-6) 10.29 27.18 -9.16 2 4 0 66 622.076 37

Activity (Go SEA)

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