UCSF

ZINC05317169

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 24 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) -0.57 9.32 -38.64 1 3 1 33 323.46 4
Lo Low (pH 4.5-6) -0.57 9.76 -87.41 2 3 2 34 324.468 4

Activity (Go SEA)

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