UCSF

ZINC16124926

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 22 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) -1.71 -0.97 -50.74 3 11 -1 158 328.201 2
Lo Low (pH 4.5-6) -1.71 -0.71 -52.2 4 11 0 159 329.209 2
Lo Low (pH 4.5-6) -1.71 -5.09 -54.38 4 11 0 159 329.209 2

Activity (Go SEA)

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