UCSF

ZINC25107675

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 28 No

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Annotations

Vendors

    None

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) 1.83 7.85 -54.19 1 8 -1 115 380.38 4
Lo Low (pH 4.5-6) 1.83 6.71 -24.94 2 8 0 113 381.388 4

Activity (Go SEA)

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