UCSF

ZINC31945427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 1.31 5.63 -85.1 4 6 0 100 321.402 5
Hi High (pH 8-9.5) 1.31 3.44 -84.76 3 6 -1 98 320.394 5

Activity (Go SEA)

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