UCSF

ZINC33638004

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 25 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) -2.71 3.89 -89.77 4 8 0 126 365.411 5
Hi High (pH 8-9.5) -2.71 3.57 -67.67 3 8 -1 125 364.403 5

Activity (Go SEA)

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