UCSF

ZINC41532950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 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) 2.94 12.66 -73.86 1 8 0 104 464.518 9
Lo Low (pH 4.5-6) 2.94 11.77 -54.95 2 8 1 101 465.526 9

Activity (Go SEA)

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