UCSF

ZINC33935646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 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) -0.22 5.77 -29.57 3 8 0 124 416.474 5
Hi High (pH 8-9.5) -0.22 5.11 -50.26 2 8 -1 119 415.466 5

Activity (Go SEA)

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