UCSF

ZINC37829021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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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) -0.70 1.86 -50.83 1 7 -1 93 268.293 5
Mid Mid (pH 6-8) -0.70 4 -72.05 2 7 0 94 269.301 5

Activity (Go SEA)

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