UCSF

ZINC40472394

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 33 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) 7.52 14.07 -57.67 0 3 -1 57 453.687 2
Lo Low (pH 4.5-6) 7.52 12.16 -10.2 1 3 0 54 454.695 2

Activity (Go SEA)

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