UCSF

ZINC31921945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.39 9.02 -17.84 2 3 0 43 315.829 3
Lo Low (pH 4.5-6) 3.39 9.42 -34.09 3 3 1 45 316.837 3

Activity (Go SEA)

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