UCSF

ZINC40046753

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 0.83 2.53 -63.49 2 8 -1 123 386.38 7
Lo Low (pH 4.5-6) 0.83 1.64 -17.23 3 8 0 120 387.388 7

Activity (Go SEA)

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