UCSF

ZINC41864187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 25 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) 3.48 8.92 -16.75 1 5 0 68 356.378 6
Hi High (pH 8-9.5) 3.66 6.37 -43.5 0 5 -1 75 355.37 6

Activity (Go SEA)

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