UCSF

ZINC16212930

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 36 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) 2.92 7.96 -50.36 2 9 -1 131 495.552 14
Mid Mid (pH 6-8) 3.36 6.07 -35.91 3 9 0 128 496.56 13
Mid Mid (pH 6-8) 2.33 7.06 -30.82 2 9 0 125 496.56 14

Activity (Go SEA)

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