UCSF

ZINC22049690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 3.75 1.43 -52.04 2 6 -1 109 417.57 4
Lo Low (pH 4.5-6) 3.75 0.31 -13.17 3 6 0 106 418.578 4

Activity (Go SEA)

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